5-[(4-amino-3-fluoropiperidin-1-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[[4-amino-4-(methoxymethyl)piperidin-1-yl]methyl]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[(4-amino-3-methoxypiperidin-1-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[(4-aminopiperidin-1-yl)methyl]-N-[3-chloro-2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[(4-aminopiperidin-1-yl)methyl]-N-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[(4-aminopiperidin-1-yl)methyl]-6-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[(4-aminopiperidin-1-yl)methyl]-N-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)-3-(trifluoromethyl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine

C177H185ClF7N63O9 — CID 159459122

IUPAC5-[(4-amino-3-fluoropiperidin-1-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[[4-amino-4-(methoxymethyl)piperidin-1-yl]methyl]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[(4-amino-3-methoxypiperidin-1-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[(4-aminopiperidin-1-yl)methyl]-N-[3-chloro-2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[(4-aminopiperidin-1-yl)methyl]-N-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[(4-aminopiperidin-1-yl)methyl]-6-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[(4-aminopiperidin-1-yl)methyl]-N-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)-3-(trifluoromethyl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCOC1CN(Cc2ccn3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c23)CCC1N.COCC1(N)CCN(Cc2ccn3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c23)CC1.Cc1c(Oc2ccn3ncnc3c2)ccc(Nc2ncnn3ccc(CN4CCC(N)CC4)c23)c1F.Cc1cc(Nc2ncnn3cc(F)c(CN4CCC(N)CC4)c23)ccc1Oc1ccn2ncnc2c1.Cc1cc(Nc2ncnn3ccc(CN4CCC(N)C(F)C4)c23)ccc1Oc1ccn2ncnc2c1.NC1CCN(Cc2ccn3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C(F)(F)F)c4)c23)CC1.NC1CCN(Cc2ccn3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(Cl)c4F)c23)CC1
InChIInChI=1S/C27H31N9O2.C26H29N9O2.C25H24F3N9O.3C25H26FN9O.C24H23ClFN9O/c1-19-13-21(3-4-23(19)38-22-6-10-35-24(14-22)29-17-31-35)33-26-25-20(5-9-36(25)32-18-30-26)15-34-11-7-27(28,8-12-34)16-37-2;1-17-11-19(3-4-22(17)37-20-6-10-34-24(12-20)28-15-30-34)32-26-25-18(5-9-35(25)31-16-29-26)13-33-8-7-21(27)23(14-33)36-2;26-25(27,28)20-11-18(1-2-21(20)38-19-6-10-36-22(12-19)30-14-32-36)34-24-23-16(3-9-37(23)33-15-31-24)13-35-7-4-17(29)5-8-35;1-16-21(36-19-7-11-34-22(12-19)28-14-30-34)3-2-20(23(16)26)32-25-24-17(4-10-35(24)31-15-29-25)13-33-8-5-18(27)6-9-33;1-16-10-18(2-3-22(16)36-19-5-9-34-23(11-19)28-14-30-34)32-25-24-17(4-8-35(24)31-15-29-25)12-33-7-6-21(27)20(26)13-33;1-16-10-18(2-3-22(16)36-19-6-9-34-23(11-19)28-14-30-34)32-25-24-20(12-33-7-4-17(27)5-8-33)21(26)13-35(24)31-15-29-25;25-21-19(36-17-6-10-34-20(11-17)28-13-30-34)2-1-18(22(21)26)32-24-23-15(3-9-35(23)31-14-29-24)12-33-7-4-16(27)5-8-33/h3-6,9-10,13-14,17-18H,7-8,11-12,15-16,28H2,1-2H3,(H,30,32,33);3-6,9-12,15-16,21,23H,7-8,13-14,27H2,1-2H3,(H,29,31,32);1-3,6,9-12,14-15,17H,4-5,7-8,13,29H2,(H,31,33,34);2-4,7,10-12,14-15,18H,5-6,8-9,13,27H2,1H3,(H,29,31,32);2-5,8-11,14-15,20-21H,6-7,12-13,27H2,1H3,(H,29,31,32);2-3,6,9-11,13-15,17H,4-5,7-8,12,27H2,1H3,(H,29,31,32);1-3,6,9-11,13-14,16H,4-5,7-8,12,27H2,(H,29,31,32)
InChIKeyLUIYZGIFLXEUHT-UHFFFAOYSA-N
MW3507.30 g/mol
LogP25.84
Rot. Bonds45

About 5-[(4-amino-3-fluoropiperidin-1-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[[4-amino-4-(methoxymethyl)piperidin-1-yl]methyl]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[(4-amino-3-methoxypiperidin-1-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[(4-aminopiperidin-1-yl)methyl]-N-[3-chloro-2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[(4-aminopiperidin-1-yl)methyl]-N-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[(4-aminopiperidin-1-yl)methyl]-6-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[(4-aminopiperidin-1-yl)methyl]-N-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)-3-(trifluoromethyl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine

5-[(4-amino-3-fluoropiperidin-1-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[[4-amino-4-(methoxymethyl)piperidin-1-yl]methyl]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[(4-amino-3-methoxypiperidin-1-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[(4-aminopiperidin-1-yl)methyl]-N-[3-chloro-2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[(4-aminopiperidin-1-yl)methyl]-N-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[(4-aminopiperidin-1-yl)methyl]-6-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[(4-aminopiperidin-1-yl)methyl]-N-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)-3-(trifluoromethyl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 159459122) has the molecular formula C177H185ClF7N63O9 and a molecular weight of 3507.30 g/mol. Its IUPAC name is 5-[(4-amino-3-fluoropiperidin-1-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[[4-amino-4-(methoxymethyl)piperidin-1-yl]methyl]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[(4-amino-3-methoxypiperidin-1-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[(4-aminopiperidin-1-yl)methyl]-N-[3-chloro-2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[(4-aminopiperidin-1-yl)methyl]-N-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[(4-aminopiperidin-1-yl)methyl]-6-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[(4-aminopiperidin-1-yl)methyl]-N-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)-3-(trifluoromethyl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name5-[(4-amino-3-fluoropiperidin-1-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[[4-amino-4-(methoxymethyl)piperidin-1-yl]methyl]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[(4-amino-3-methoxypiperidin-1-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[(4-aminopiperidin-1-yl)methyl]-N-[3-chloro-2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[(4-aminopiperidin-1-yl)methyl]-N-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[(4-aminopiperidin-1-yl)methyl]-6-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[(4-aminopiperidin-1-yl)methyl]-N-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)-3-(trifluoromethyl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID159459122
Molecular FormulaC177H185ClF7N63O9
Molecular Weight3507.30 g/mol
Exact Mass3504.55
IUPAC Name5-[(4-amino-3-fluoropiperidin-1-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[[4-amino-4-(methoxymethyl)piperidin-1-yl]methyl]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[(4-amino-3-methoxypiperidin-1-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[(4-aminopiperidin-1-yl)methyl]-N-[3-chloro-2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[(4-aminopiperidin-1-yl)methyl]-N-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[(4-aminopiperidin-1-yl)methyl]-6-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[(4-aminopiperidin-1-yl)methyl]-N-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)-3-(trifluoromethyl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCOC1CN(Cc2ccn3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c23)CCC1N.COCC1(N)CCN(Cc2ccn3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c23)CC1.Cc1c(Oc2ccn3ncnc3c2)ccc(Nc2ncnn3ccc(CN4CCC(N)CC4)c23)c1F.Cc1cc(Nc2ncnn3cc(F)c(CN4CCC(N)CC4)c23)ccc1Oc1ccn2ncnc2c1.Cc1cc(Nc2ncnn3ccc(CN4CCC(N)C(F)C4)c23)ccc1Oc1ccn2ncnc2c1.NC1CCN(Cc2ccn3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C(F)(F)F)c4)c23)CC1.NC1CCN(Cc2ccn3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(Cl)c4F)c23)CC1
InChIInChI=1S/C27H31N9O2.C26H29N9O2.C25H24F3N9O.3C25H26FN9O.C24H23ClFN9O/c1-19-13-21(3-4-23(19)38-22-6-10-35-24(14-22)29-17-31-35)33-26-25-20(5-9-36(25)32-18-30-26)15-34-11-7-27(28,8-12-34)16-37-2;1-17-11-19(3-4-22(17)37-20-6-10-34-24(12-20)28-15-30-34)32-26-25-18(5-9-35(25)31-16-29-26)13-33-8-7-21(27)23(14-33)36-2;26-25(27,28)20-11-18(1-2-21(20)38-19-6-10-36-22(12-19)30-14-32-36)34-24-23-16(3-9-37(23)33-15-31-24)13-35-7-4-17(29)5-8-35;1-16-21(36-19-7-11-34-22(12-19)28-14-30-34)3-2-20(23(16)26)32-25-24-17(4-10-35(24)31-15-29-25)13-33-8-5-18(27)6-9-33;1-16-10-18(2-3-22(16)36-19-5-9-34-23(11-19)28-14-30-34)32-25-24-17(4-8-35(24)31-15-29-25)12-33-7-6-21(27)20(26)13-33;1-16-10-18(2-3-22(16)36-19-6-9-34-23(11-19)28-14-30-34)32-25-24-20(12-33-7-4-17(27)5-8-33)21(26)13-35(24)31-15-29-25;25-21-19(36-17-6-10-34-20(11-17)28-13-30-34)2-1-18(22(21)26)32-24-23-15(3-9-35(23)31-14-29-24)12-33-7-4-16(27)5-8-33/h3-6,9-10,13-14,17-18H,7-8,11-12,15-16,28H2,1-2H3,(H,30,32,33);3-6,9-12,15-16,21,23H,7-8,13-14,27H2,1-2H3,(H,29,31,32);1-3,6,9-12,14-15,17H,4-5,7-8,13,29H2,(H,31,33,34);2-4,7,10-12,14-15,18H,5-6,8-9,13,27H2,1H3,(H,29,31,32);2-5,8-11,14-15,20-21H,6-7,12-13,27H2,1H3,(H,29,31,32);2-3,6,9-11,13-15,17H,4-5,7-8,12,27H2,1H3,(H,29,31,32);1-3,6,9-11,13-14,16H,4-5,7-8,12,27H2,(H,29,31,32)
InChIKeyLUIYZGIFLXEUHT-UHFFFAOYSA-N
XLogP25.84
TPSA794.76 Ų
H-Bond Donors14
H-Bond Acceptors72
Rotatable Bonds45
Heavy Atoms257
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003507.30
LogP ≤ 525.84
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1072

Analyze 5-[(4-amino-3-fluoropiperidin-1-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[[4-amino-4-(methoxymethyl)piperidin-1-yl]methyl]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[(4-amino-3-methoxypiperidin-1-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[(4-aminopiperidin-1-yl)methyl]-N-[3-chloro-2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[(4-aminopiperidin-1-yl)methyl]-N-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[(4-aminopiperidin-1-yl)methyl]-6-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[(4-aminopiperidin-1-yl)methyl]-N-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)-3-(trifluoromethyl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[1-[[6-fluoro-4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]piperidin-4-yl]carbamate
CID 146249312
1-[[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]pyrrolidin-3-ol
CID 146249258
tert-butyl N-[(3R,4R)-3-fluoro-1-[[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]piperidin-4-yl]carbamate
CID 160845575
tert-butyl N-[1-[[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]piperidin-4-yl]carbamate
CID 146249275
5-[[(4S)-4-amino-2-ethylpiperidin-1-yl]methyl]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 146249235
5-[(4-aminopiperidin-1-yl)methyl]-N-(3-chloro-4-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 53322058
(3S,4R)-4-amino-1-[[4-(4-fluoro-3-methoxyanilino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]piperidin-3-ol
CID 66952734
(3R,4R)-4-amino-1-[[4-(4-chloro-3-methoxyanilino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]piperidin-3-ol
CID 66952175
5-[(4-aminopiperidin-1-yl)methyl]-N-[3-chloro-4-(isoquinolin-1-ylmethoxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 22055253
5-[[5-[(4-aminopiperidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-fluorobenzonitrile
CID 68688745
1-[4-[[4-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]-methylamino]piperidin-1-yl]prop-2-en-1-one
CID 166544235
1-[3-[(1S)-1-[4-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]ethyl]azetidin-1-yl]prop-2-en-1-one
CID 166543799

Frequently Asked Questions

What is the IUPAC name of 5-[(4-amino-3-fluoropiperidin-1-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[[4-amino-4-(methoxymethyl)piperidin-1-yl]methyl]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[(4-amino-3-methoxypiperidin-1-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[(4-aminopiperidin-1-yl)methyl]-N-[3-chloro-2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[(4-aminopiperidin-1-yl)methyl]-N-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[(4-aminopiperidin-1-yl)methyl]-6-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[(4-aminopiperidin-1-yl)methyl]-N-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)-3-(trifluoromethyl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 5-[(4-amino-3-fluoropiperidin-1-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[[4-amino-4-(methoxymethyl)piperidin-1-yl]methyl]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[(4-amino-3-methoxypiperidin-1-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[(4-aminopiperidin-1-yl)methyl]-N-[3-chloro-2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[(4-aminopiperidin-1-yl)methyl]-N-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[(4-aminopiperidin-1-yl)methyl]-6-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[(4-aminopiperidin-1-yl)methyl]-N-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)-3-(trifluoromethyl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 159459122) is 5-[(4-amino-3-fluoropiperidin-1-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[[4-amino-4-(methoxymethyl)piperidin-1-yl]methyl]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[(4-amino-3-methoxypiperidin-1-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[(4-aminopiperidin-1-yl)methyl]-N-[3-chloro-2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[(4-aminopiperidin-1-yl)methyl]-N-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[(4-aminopiperidin-1-yl)methyl]-6-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[(4-aminopiperidin-1-yl)methyl]-N-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)-3-(trifluoromethyl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 5-[(4-amino-3-fluoropiperidin-1-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[[4-amino-4-(methoxymethyl)piperidin-1-yl]methyl]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[(4-amino-3-methoxypiperidin-1-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[(4-aminopiperidin-1-yl)methyl]-N-[3-chloro-2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[(4-aminopiperidin-1-yl)methyl]-N-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[(4-aminopiperidin-1-yl)methyl]-6-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[(4-aminopiperidin-1-yl)methyl]-N-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)-3-(trifluoromethyl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 5-[(4-amino-3-fluoropiperidin-1-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[[4-amino-4-(methoxymethyl)piperidin-1-yl]methyl]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[(4-amino-3-methoxypiperidin-1-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[(4-aminopiperidin-1-yl)methyl]-N-[3-chloro-2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[(4-aminopiperidin-1-yl)methyl]-N-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[(4-aminopiperidin-1-yl)methyl]-6-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[(4-aminopiperidin-1-yl)methyl]-N-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)-3-(trifluoromethyl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine is COC1CN(Cc2ccn3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c23)CCC1N.COCC1(N)CCN(Cc2ccn3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c23)CC1.Cc1c(Oc2ccn3ncnc3c2)ccc(Nc2ncnn3ccc(CN4CCC(N)CC4)c23)c1F.Cc1cc(Nc2ncnn3cc(F)c(CN4CCC(N)CC4)c23)ccc1Oc1ccn2ncnc2c1.Cc1cc(Nc2ncnn3ccc(CN4CCC(N)C(F)C4)c23)ccc1Oc1ccn2ncnc2c1.NC1CCN(Cc2ccn3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C(F)(F)F)c4)c23)CC1.NC1CCN(Cc2ccn3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(Cl)c4F)c23)CC1.
What is the InChIKey of 5-[(4-amino-3-fluoropiperidin-1-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[[4-amino-4-(methoxymethyl)piperidin-1-yl]methyl]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[(4-amino-3-methoxypiperidin-1-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[(4-aminopiperidin-1-yl)methyl]-N-[3-chloro-2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[(4-aminopiperidin-1-yl)methyl]-N-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[(4-aminopiperidin-1-yl)methyl]-6-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[(4-aminopiperidin-1-yl)methyl]-N-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)-3-(trifluoromethyl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is LUIYZGIFLXEUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N9O2.C26H29N9O2.C25H24F3N9O.3C25H26FN9O.C24H23ClFN9O/c1-19-13-21(3-4-23(19)38-22-6-10-35-24(14-22)29-17-31-35)33-26-25-20(5-9-36(25)32-18-30-26)15-34-11-7-27(28,8-12-34)16-37-2;1-17-11-19(3-4-22(17)37-20-6-10-34-24(12-20)28-15-30-34)32-26-25-18(5-9-35(25)31-16-29-26)13-33-8-7-21(27)23(14-33)36-2;26-25(27,28)20-11-18(1-2-21(20)38-19-6-10-36-22(12-19)30-14-32-36)34-24-23-16(3-9-37(23)33-15-31-24)13-35-7-4-17(29)5-8-35;1-16-21(36-19-7-11-34-22(12-19)28-14-30-34)3-2-20(23(16)26)32-25-24-17(4-10-35(24)31-15-29-25)13-33-8-5-18(27)6-9-33;1-16-10-18(2-3-22(16)36-19-5-9-34-23(11-19)28-14-30-34)32-25-24-17(4-8-35(24)31-15-29-25)12-33-7-6-21(27)20(26)13-33;1-16-10-18(2-3-22(16)36-19-6-9-34-23(11-19)28-14-30-34)32-25-24-20(12-33-7-4-17(27)5-8-33)21(26)13-35(24)31-15-29-25;25-21-19(36-17-6-10-34-20(11-17)28-13-30-34)2-1-18(22(21)26)32-24-23-15(3-9-35(23)31-14-29-24)12-33-7-4-16(27)5-8-33/h3-6,9-10,13-14,17-18H,7-8,11-12,15-16,28H2,1-2H3,(H,30,32,33);3-6,9-12,15-16,21,23H,7-8,13-14,27H2,1-2H3,(H,29,31,32);1-3,6,9-12,14-15,17H,4-5,7-8,13,29H2,(H,31,33,34);2-4,7,10-12,14-15,18H,5-6,8-9,13,27H2,1H3,(H,29,31,32);2-5,8-11,14-15,20-21H,6-7,12-13,27H2,1H3,(H,29,31,32);2-3,6,9-11,13-15,17H,4-5,7-8,12,27H2,1H3,(H,29,31,32);1-3,6,9-11,13-14,16H,4-5,7-8,12,27H2,(H,29,31,32).
What are the key properties of 5-[(4-amino-3-fluoropiperidin-1-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[[4-amino-4-(methoxymethyl)piperidin-1-yl]methyl]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[(4-amino-3-methoxypiperidin-1-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[(4-aminopiperidin-1-yl)methyl]-N-[3-chloro-2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[(4-aminopiperidin-1-yl)methyl]-N-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[(4-aminopiperidin-1-yl)methyl]-6-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[(4-aminopiperidin-1-yl)methyl]-N-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)-3-(trifluoromethyl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
5-[(4-amino-3-fluoropiperidin-1-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[[4-amino-4-(methoxymethyl)piperidin-1-yl]methyl]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[(4-amino-3-methoxypiperidin-1-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[(4-aminopiperidin-1-yl)methyl]-N-[3-chloro-2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[(4-aminopiperidin-1-yl)methyl]-N-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[(4-aminopiperidin-1-yl)methyl]-6-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[(4-aminopiperidin-1-yl)methyl]-N-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)-3-(trifluoromethyl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 3507.30 g/mol, XLogP of 25.84, 45 rotatable bonds, 14 hydrogen bond donors, and 72 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-amino-3-fluoropiperidin-1-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[[4-amino-4-(methoxymethyl)piperidin-1-yl]methyl]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[(4-amino-3-methoxypiperidin-1-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[(4-aminopiperidin-1-yl)methyl]-N-[3-chloro-2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[(4-aminopiperidin-1-yl)methyl]-N-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[(4-aminopiperidin-1-yl)methyl]-6-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-[(4-aminopiperidin-1-yl)methyl]-N-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)-3-(trifluoromethyl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 159459122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).