N-[[6-[4-(1-fluoroethyl)-3-methylpyrazol-1-yl]-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[6-[4-(1-fluoroethyl)pyrazol-1-yl]-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1S)-1-[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]ethyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1R)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1R)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]propyl]pyridine-2-carboxamide

C131H131F2N51O5 — CID 159637398

IUPACN-[[6-[4-(1-fluoroethyl)-3-methylpyrazol-1-yl]-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[6-[4-(1-fluoroethyl)pyrazol-1-yl]-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1S)-1-[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]ethyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1R)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1R)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]propyl]pyridine-2-carboxamide
SMILESCC[C@@H](NC(=O)c1ccc(-c2nc(C)cc(Nc3cc(C)[nH]n3)n2)cn1)c1ccc(-n2cc(C)cn2)nc1.Cc1cc(Nc2cc(C)[nH]n2)nc(-c2ccc(C(=O)NCc3ccc(-n4cc(C(C)F)c(C)n4)nc3)nc2)n1.Cc1cc(Nc2cc(C)[nH]n2)nc(-c2ccc(C(=O)NCc3ccc(-n4cc(C(C)F)cn4)nc3)nc2)n1.Cc1cnn(-c2ccc([C@@H](C)NC(=O)c3ccc(-c4nc(C)cc(Nc5cc(C)[nH]n5)n4)cn3)cn2)c1.Cc1cnn(-c2cnc([C@H](C)NC(=O)c3ccc(-c4nc(C)cc(Nc5cc(C)[nH]n5)n4)cn3)cn2)c1
InChIInChI=1S/C27H27FN10O.C27H28N10O.C26H25FN10O.C26H26N10O.C25H25N11O/c1-15-9-23(33-24-10-16(2)35-36-24)34-26(32-15)20-6-7-22(29-13-20)27(39)31-12-19-5-8-25(30-11-19)38-14-21(17(3)28)18(4)37-38;1-5-21(19-7-9-25(29-13-19)37-15-16(2)12-30-37)32-27(38)22-8-6-20(14-28-22)26-31-17(3)10-23(34-26)33-24-11-18(4)35-36-24;1-15-8-22(33-23-9-16(2)35-36-23)34-25(32-15)19-5-6-21(28-12-19)26(38)30-11-18-4-7-24(29-10-18)37-14-20(13-31-37)17(3)27;1-15-11-29-36(14-15)24-8-6-19(12-28-24)18(4)31-26(37)21-7-5-20(13-27-21)25-30-16(2)9-22(33-25)32-23-10-17(3)34-35-23;1-14-9-29-36(13-14)23-12-27-20(11-28-23)17(4)31-25(37)19-6-5-18(10-26-19)24-30-15(2)7-21(33-24)32-22-8-16(3)34-35-22/h5-11,13-14,17H,12H2,1-4H3,(H,31,39)(H2,32,33,34,35,36);6-15,21H,5H2,1-4H3,(H,32,38)(H2,31,33,34,35,36);4-10,12-14,17H,11H2,1-3H3,(H,30,38)(H2,32,33,34,35,36);5-14,18H,1-4H3,(H,31,37)(H2,30,32,33,34,35);5-13,17H,1-4H3,(H,31,37)(H2,30,32,33,34,35)/t;21-;;18-;17-/m.1.10/s1
InChIKeyMPXMIVAKBRGXHE-PQVLPWOISA-N
MW2537.84 g/mol
LogP20.43
Rot. Bonds38

About N-[[6-[4-(1-fluoroethyl)-3-methylpyrazol-1-yl]-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[6-[4-(1-fluoroethyl)pyrazol-1-yl]-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1S)-1-[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]ethyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1R)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1R)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]propyl]pyridine-2-carboxamide

N-[[6-[4-(1-fluoroethyl)-3-methylpyrazol-1-yl]-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[6-[4-(1-fluoroethyl)pyrazol-1-yl]-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1S)-1-[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]ethyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1R)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1R)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]propyl]pyridine-2-carboxamide (PubChem CID 159637398) has the molecular formula C131H131F2N51O5 and a molecular weight of 2537.84 g/mol. Its IUPAC name is N-[[6-[4-(1-fluoroethyl)-3-methylpyrazol-1-yl]-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[6-[4-(1-fluoroethyl)pyrazol-1-yl]-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1S)-1-[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]ethyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1R)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1R)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]propyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[6-[4-(1-fluoroethyl)-3-methylpyrazol-1-yl]-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[6-[4-(1-fluoroethyl)pyrazol-1-yl]-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1S)-1-[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]ethyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1R)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1R)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]propyl]pyridine-2-carboxamide
PubChem CID159637398
Molecular FormulaC131H131F2N51O5
Molecular Weight2537.84 g/mol
Exact Mass2536.15
IUPAC NameN-[[6-[4-(1-fluoroethyl)-3-methylpyrazol-1-yl]-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[6-[4-(1-fluoroethyl)pyrazol-1-yl]-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1S)-1-[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]ethyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1R)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1R)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]propyl]pyridine-2-carboxamide
SMILESCC[C@@H](NC(=O)c1ccc(-c2nc(C)cc(Nc3cc(C)[nH]n3)n2)cn1)c1ccc(-n2cc(C)cn2)nc1.Cc1cc(Nc2cc(C)[nH]n2)nc(-c2ccc(C(=O)NCc3ccc(-n4cc(C(C)F)c(C)n4)nc3)nc2)n1.Cc1cc(Nc2cc(C)[nH]n2)nc(-c2ccc(C(=O)NCc3ccc(-n4cc(C(C)F)cn4)nc3)nc2)n1.Cc1cnn(-c2ccc([C@@H](C)NC(=O)c3ccc(-c4nc(C)cc(Nc5cc(C)[nH]n5)n4)cn3)cn2)c1.Cc1cnn(-c2cnc([C@H](C)NC(=O)c3ccc(-c4nc(C)cc(Nc5cc(C)[nH]n5)n4)cn3)cn2)c1
InChIInChI=1S/C27H27FN10O.C27H28N10O.C26H25FN10O.C26H26N10O.C25H25N11O/c1-15-9-23(33-24-10-16(2)35-36-24)34-26(32-15)20-6-7-22(29-13-20)27(39)31-12-19-5-8-25(30-11-19)38-14-21(17(3)28)18(4)37-38;1-5-21(19-7-9-25(29-13-19)37-15-16(2)12-30-37)32-27(38)22-8-6-20(14-28-22)26-31-17(3)10-23(34-26)33-24-11-18(4)35-36-24;1-15-8-22(33-23-9-16(2)35-36-23)34-25(32-15)19-5-6-21(28-12-19)26(38)30-11-18-4-7-24(29-10-18)37-14-20(13-31-37)17(3)27;1-15-11-29-36(14-15)24-8-6-19(12-28-24)18(4)31-26(37)21-7-5-20(13-27-21)25-30-16(2)9-22(33-25)32-23-10-17(3)34-35-23;1-14-9-29-36(13-14)23-12-27-20(11-28-23)17(4)31-25(37)19-6-5-18(10-26-19)24-30-15(2)7-21(33-24)32-22-8-16(3)34-35-22/h5-11,13-14,17H,12H2,1-4H3,(H,31,39)(H2,32,33,34,35,36);6-15,21H,5H2,1-4H3,(H,32,38)(H2,31,33,34,35,36);4-10,12-14,17H,11H2,1-3H3,(H,30,38)(H2,32,33,34,35,36);5-14,18H,1-4H3,(H,31,37)(H2,30,32,33,34,35);5-13,17H,1-4H3,(H,31,37)(H2,30,32,33,34,35)/t;21-;;18-;17-/m.1.10/s1
InChIKeyMPXMIVAKBRGXHE-PQVLPWOISA-N
XLogP20.43
TPSA708.84 Ų
H-Bond Donors15
H-Bond Acceptors46
Rotatable Bonds38
Heavy Atoms189
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002537.84
LogP ≤ 520.43
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1046

Analyze N-[[6-[4-(1-fluoroethyl)-3-methylpyrazol-1-yl]-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[6-[4-(1-fluoroethyl)pyrazol-1-yl]-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1S)-1-[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]ethyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1R)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1R)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]propyl]pyridine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]methyl]-5-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide
CID 138961822
N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-5-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide
CID 138961826
N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-3-methyl-5-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide
CID 138961830
3-fluoro-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-5-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide
CID 138961831
N-[[6-[4-(difluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide
CID 138961832
N-[[6-[4-(difluoromethyl)-3-methylpyrazol-1-yl]-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide
CID 138961833
N-[(1R)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-5-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide
CID 138961834
N-[(1R)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]propyl]-5-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide
CID 138961835
N-[(1S)-1-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]ethyl]-5-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide
CID 138961836
3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide
CID 122487494
5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[[6-(4-methylpyrazol-1-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide
CID 122487525
3-methyl-5-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]-N-[(1S)-1-(6-pyrazol-1-yl-3-pyridinyl)ethyl]pyridine-2-carboxamide
CID 138961824

Frequently Asked Questions

What is the IUPAC name of N-[[6-[4-(1-fluoroethyl)-3-methylpyrazol-1-yl]-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[6-[4-(1-fluoroethyl)pyrazol-1-yl]-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1S)-1-[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]ethyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1R)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1R)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]propyl]pyridine-2-carboxamide?
The IUPAC name of N-[[6-[4-(1-fluoroethyl)-3-methylpyrazol-1-yl]-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[6-[4-(1-fluoroethyl)pyrazol-1-yl]-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1S)-1-[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]ethyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1R)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1R)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]propyl]pyridine-2-carboxamide (CID 159637398) is N-[[6-[4-(1-fluoroethyl)-3-methylpyrazol-1-yl]-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[6-[4-(1-fluoroethyl)pyrazol-1-yl]-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1S)-1-[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]ethyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1R)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1R)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]propyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[[6-[4-(1-fluoroethyl)-3-methylpyrazol-1-yl]-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[6-[4-(1-fluoroethyl)pyrazol-1-yl]-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1S)-1-[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]ethyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1R)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1R)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]propyl]pyridine-2-carboxamide?
The canonical SMILES for N-[[6-[4-(1-fluoroethyl)-3-methylpyrazol-1-yl]-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[6-[4-(1-fluoroethyl)pyrazol-1-yl]-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1S)-1-[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]ethyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1R)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1R)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]propyl]pyridine-2-carboxamide is CC[C@@H](NC(=O)c1ccc(-c2nc(C)cc(Nc3cc(C)[nH]n3)n2)cn1)c1ccc(-n2cc(C)cn2)nc1.Cc1cc(Nc2cc(C)[nH]n2)nc(-c2ccc(C(=O)NCc3ccc(-n4cc(C(C)F)c(C)n4)nc3)nc2)n1.Cc1cc(Nc2cc(C)[nH]n2)nc(-c2ccc(C(=O)NCc3ccc(-n4cc(C(C)F)cn4)nc3)nc2)n1.Cc1cnn(-c2ccc([C@@H](C)NC(=O)c3ccc(-c4nc(C)cc(Nc5cc(C)[nH]n5)n4)cn3)cn2)c1.Cc1cnn(-c2cnc([C@H](C)NC(=O)c3ccc(-c4nc(C)cc(Nc5cc(C)[nH]n5)n4)cn3)cn2)c1.
What is the InChIKey of N-[[6-[4-(1-fluoroethyl)-3-methylpyrazol-1-yl]-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[6-[4-(1-fluoroethyl)pyrazol-1-yl]-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1S)-1-[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]ethyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1R)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1R)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]propyl]pyridine-2-carboxamide?
The InChIKey is MPXMIVAKBRGXHE-PQVLPWOISA-N. The full InChI is InChI=1S/C27H27FN10O.C27H28N10O.C26H25FN10O.C26H26N10O.C25H25N11O/c1-15-9-23(33-24-10-16(2)35-36-24)34-26(32-15)20-6-7-22(29-13-20)27(39)31-12-19-5-8-25(30-11-19)38-14-21(17(3)28)18(4)37-38;1-5-21(19-7-9-25(29-13-19)37-15-16(2)12-30-37)32-27(38)22-8-6-20(14-28-22)26-31-17(3)10-23(34-26)33-24-11-18(4)35-36-24;1-15-8-22(33-23-9-16(2)35-36-23)34-25(32-15)19-5-6-21(28-12-19)26(38)30-11-18-4-7-24(29-10-18)37-14-20(13-31-37)17(3)27;1-15-11-29-36(14-15)24-8-6-19(12-28-24)18(4)31-26(37)21-7-5-20(13-27-21)25-30-16(2)9-22(33-25)32-23-10-17(3)34-35-23;1-14-9-29-36(13-14)23-12-27-20(11-28-23)17(4)31-25(37)19-6-5-18(10-26-19)24-30-15(2)7-21(33-24)32-22-8-16(3)34-35-22/h5-11,13-14,17H,12H2,1-4H3,(H,31,39)(H2,32,33,34,35,36);6-15,21H,5H2,1-4H3,(H,32,38)(H2,31,33,34,35,36);4-10,12-14,17H,11H2,1-3H3,(H,30,38)(H2,32,33,34,35,36);5-14,18H,1-4H3,(H,31,37)(H2,30,32,33,34,35);5-13,17H,1-4H3,(H,31,37)(H2,30,32,33,34,35)/t;21-;;18-;17-/m.1.10/s1.
What are the key properties of N-[[6-[4-(1-fluoroethyl)-3-methylpyrazol-1-yl]-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[6-[4-(1-fluoroethyl)pyrazol-1-yl]-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1S)-1-[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]ethyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1R)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1R)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]propyl]pyridine-2-carboxamide?
N-[[6-[4-(1-fluoroethyl)-3-methylpyrazol-1-yl]-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[6-[4-(1-fluoroethyl)pyrazol-1-yl]-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1S)-1-[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]ethyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1R)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1R)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]propyl]pyridine-2-carboxamide has a molecular weight of 2537.84 g/mol, XLogP of 20.43, 38 rotatable bonds, 15 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[4-(1-fluoroethyl)-3-methylpyrazol-1-yl]-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[6-[4-(1-fluoroethyl)pyrazol-1-yl]-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1S)-1-[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]ethyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1R)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1R)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]propyl]pyridine-2-carboxamide is sourced from PubChem (CID 159637398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).