5-[(4-aminocyclohexyl)methyl]-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)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

C126H128ClF6N43O5 — CID 158608608

About 5-[(4-aminocyclohexyl)methyl]-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)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-aminocyclohexyl)methyl]-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)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 158608608) has the molecular formula C126H128ClF6N43O5 and a molecular weight of 2474.15 g/mol. Its IUPAC name is 5-[(4-aminocyclohexyl)methyl]-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)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 Name: 5-[(4-aminocyclohexyl)methyl]-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)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: 158608608
• Molecular Formula: C126H128ClF6N43O5
• Molecular Weight: 2474.15 g/mol
• Exact Mass: 2472.07
• IUPAC Name: 5-[(4-aminocyclohexyl)methyl]-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)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
• SMILES: Cc1c(Oc2ccn3ncnc3c2)ccc(Nc2ncnn3ccc(CN4CCC(N)CC4)c23)c1F.Cc1cc(Nc2ncnn3cc(F)c(CN4CCC(N)CC4)c23)ccc1Oc1ccn2ncnc2c1.Cc1cc(Nc2ncnn3ccc(CC4CCC(N)CC4)c23)ccc1Oc1ccn2ccnc2c1.NC1CCN(Cc2ccn3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C(F)(F)F)c4)c23)CC1.NC1CCN(Cc2ccn3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(Cl)c4F)c23)CC1
• InChI: InChI=1S/C27H29N7O.C25H24F3N9O.2C25H26FN9O.C24H23ClFN9O/c1-18-14-22(6-7-24(18)35-23-9-11-33-13-10-29-25(33)16-23)32-27-26-20(8-12-34(26)31-17-30-27)15-19-2-4-21(28)5-3-19;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)36-19-6-9-34-23(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/h6-14,16-17,19,21H,2-5,15,28H2,1H3,(H,30,31,32);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);2-3,6,9-11,13-15,17H,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)
• InChIKey: HWNXYILALPFIJD-UHFFFAOYSA-N
• XLogP: 20.91
• TPSA: 538.37 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 48
• Rotatable Bonds: 30
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2474.15
LogP ≤ 5	20.91
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	48

Frequently Asked Questions

What is the IUPAC name of 5-[(4-aminocyclohexyl)methyl]-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)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-aminocyclohexyl)methyl]-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)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 158608608) is 5-[(4-aminocyclohexyl)methyl]-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)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-aminocyclohexyl)methyl]-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)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-aminocyclohexyl)methyl]-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)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 Cc1c(Oc2ccn3ncnc3c2)ccc(Nc2ncnn3ccc(CN4CCC(N)CC4)c23)c1F.Cc1cc(Nc2ncnn3cc(F)c(CN4CCC(N)CC4)c23)ccc1Oc1ccn2ncnc2c1.Cc1cc(Nc2ncnn3ccc(CC4CCC(N)CC4)c23)ccc1Oc1ccn2ccnc2c1.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-aminocyclohexyl)methyl]-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)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 HWNXYILALPFIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N7O.C25H24F3N9O.2C25H26FN9O.C24H23ClFN9O/c1-18-14-22(6-7-24(18)35-23-9-11-33-13-10-29-25(33)16-23)32-27-26-20(8-12-34(26)31-17-30-27)15-19-2-4-21(28)5-3-19;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)36-19-6-9-34-23(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/h6-14,16-17,19,21H,2-5,15,28H2,1H3,(H,30,31,32);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);2-3,6,9-11,13-15,17H,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-aminocyclohexyl)methyl]-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)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-aminocyclohexyl)methyl]-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)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 2474.15 g/mol, XLogP of 20.91, 30 rotatable bonds, 10 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(4-aminocyclohexyl)methyl]-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)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 158608608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).