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

C137H137F2N45O5 — CID 159406295

IUPACN-[[6-[4-(1-fluoroethyl)-3-methylpyrazol-1-yl]-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]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)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]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)methyl]pyrimidin-2-yl]-N-[(1R)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]pyridine-2-carboxamide;4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1R)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]propyl]benzamide
SMILESCC[C@@H](NC(=O)c1ccc(-c2nc(C)cc(Cc3cc(C)[nH]n3)n2)cc1)c1ccc(-n2cc(C)cn2)nc1.Cc1cc(Cc2cc(C)[nH]n2)nc(-c2ccc(C(=O)NCc3ccc(-n4cc(C(C)F)c(C)n4)nc3)nc2)n1.Cc1cc(Cc2cc(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(Cc5cc(C)[nH]n5)n4)cn3)cn2)c1.Cc1cnn(-c2cnc([C@H](C)NC(=O)c3ccc(-c4nc(C)cc(Cc5cc(C)[nH]n5)n4)cn3)cn2)c1
InChIInChI=1S/C29H30N8O.C28H28FN9O.C27H26FN9O.C27H27N9O.C26H26N10O/c1-5-26(23-10-11-27(30-16-23)37-17-18(2)15-31-37)34-29(38)22-8-6-21(7-9-22)28-32-19(3)12-24(33-28)14-25-13-20(4)35-36-25;1-16-9-22(11-23-10-17(2)35-36-23)34-27(33-16)21-6-7-25(30-14-21)28(39)32-13-20-5-8-26(31-12-20)38-15-24(18(3)29)19(4)37-38;1-16-8-22(10-23-9-17(2)35-36-23)34-26(33-16)20-5-6-24(29-13-20)27(38)31-12-19-4-7-25(30-11-19)37-15-21(14-32-37)18(3)28;1-16-12-30-36(15-16)25-8-6-20(13-29-25)19(4)32-27(37)24-7-5-21(14-28-24)26-31-17(2)9-22(33-26)11-23-10-18(3)34-35-23;1-15-10-30-36(14-15)24-13-28-23(12-29-24)18(4)32-26(37)22-6-5-19(11-27-22)25-31-16(2)7-20(33-25)9-21-8-17(3)34-35-21/h6-13,15-17,26H,5,14H2,1-4H3,(H,34,38)(H,35,36);5-10,12,14-15,18H,11,13H2,1-4H3,(H,32,39)(H,35,36);4-9,11,13-15,18H,10,12H2,1-3H3,(H,31,38)(H,35,36);5-10,12-15,19H,11H2,1-4H3,(H,32,37)(H,34,35);5-8,10-14,18H,9H2,1-4H3,(H,32,37)(H,34,35)/t26-;;;19-;18-/m1..10/s1
InChIKeyLNZNXRSIONGWFQ-HHNFYIGSSA-N
MW2531.91 g/mol
LogP20.27
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)methyl]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)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]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)methyl]pyrimidin-2-yl]-N-[(1R)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]pyridine-2-carboxamide;4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1R)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]propyl]benzamide

N-[[6-[4-(1-fluoroethyl)-3-methylpyrazol-1-yl]-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]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)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]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)methyl]pyrimidin-2-yl]-N-[(1R)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]pyridine-2-carboxamide;4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1R)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]propyl]benzamide (PubChem CID 159406295) has the molecular formula C137H137F2N45O5 and a molecular weight of 2531.91 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)methyl]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)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]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)methyl]pyrimidin-2-yl]-N-[(1R)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]pyridine-2-carboxamide;4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1R)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]propyl]benzamide.

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)methyl]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)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]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)methyl]pyrimidin-2-yl]-N-[(1R)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]pyridine-2-carboxamide;4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1R)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]propyl]benzamide
PubChem CID159406295
Molecular FormulaC137H137F2N45O5
Molecular Weight2531.91 g/mol
Exact Mass2530.18
IUPAC NameN-[[6-[4-(1-fluoroethyl)-3-methylpyrazol-1-yl]-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]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)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]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)methyl]pyrimidin-2-yl]-N-[(1R)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]pyridine-2-carboxamide;4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1R)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]propyl]benzamide
SMILESCC[C@@H](NC(=O)c1ccc(-c2nc(C)cc(Cc3cc(C)[nH]n3)n2)cc1)c1ccc(-n2cc(C)cn2)nc1.Cc1cc(Cc2cc(C)[nH]n2)nc(-c2ccc(C(=O)NCc3ccc(-n4cc(C(C)F)c(C)n4)nc3)nc2)n1.Cc1cc(Cc2cc(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(Cc5cc(C)[nH]n5)n4)cn3)cn2)c1.Cc1cnn(-c2cnc([C@H](C)NC(=O)c3ccc(-c4nc(C)cc(Cc5cc(C)[nH]n5)n4)cn3)cn2)c1
InChIInChI=1S/C29H30N8O.C28H28FN9O.C27H26FN9O.C27H27N9O.C26H26N10O/c1-5-26(23-10-11-27(30-16-23)37-17-18(2)15-31-37)34-29(38)22-8-6-21(7-9-22)28-32-19(3)12-24(33-28)14-25-13-20(4)35-36-25;1-16-9-22(11-23-10-17(2)35-36-23)34-27(33-16)21-6-7-25(30-14-21)28(39)32-13-20-5-8-26(31-12-20)38-15-24(18(3)29)19(4)37-38;1-16-8-22(10-23-9-17(2)35-36-23)34-26(33-16)20-5-6-24(29-13-20)27(38)31-12-19-4-7-25(30-11-19)37-15-21(14-32-37)18(3)28;1-16-12-30-36(15-16)25-8-6-20(13-29-25)19(4)32-27(37)24-7-5-21(14-28-24)26-31-17(2)9-22(33-26)11-23-10-18(3)34-35-23;1-15-10-30-36(14-15)24-13-28-23(12-29-24)18(4)32-26(37)22-6-5-19(11-27-22)25-31-16(2)7-20(33-25)9-21-8-17(3)34-35-21/h6-13,15-17,26H,5,14H2,1-4H3,(H,34,38)(H,35,36);5-10,12,14-15,18H,11,13H2,1-4H3,(H,32,39)(H,35,36);4-9,11,13-15,18H,10,12H2,1-3H3,(H,31,38)(H,35,36);5-10,12-15,19H,11H2,1-4H3,(H,32,37)(H,34,35);5-8,10-14,18H,9H2,1-4H3,(H,32,37)(H,34,35)/t26-;;;19-;18-/m1..10/s1
InChIKeyLNZNXRSIONGWFQ-HHNFYIGSSA-N
XLogP20.27
TPSA635.80 Ų
H-Bond Donors10
H-Bond Acceptors40
Rotatable Bonds38
Heavy Atoms189
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002531.91
LogP ≤ 520.27
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1040

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

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Launch Full Analysis

Related Compounds

N-[2-[4-[[[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]pyrazolo[3,4-c]pyridin-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 168079772
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
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
6-[[4-[(3-methylpyridine-4-carbonyl)amino]-6-pyridin-2-yl-1,3,5-triazin-2-yl]methyl]-N-[4-[[2-[[5-[(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)carbamoyl]-1H-pyrazol-3-yl]amino]phenyl]methyl]-6-pyridin-2-yl-1,3,5-triazin-2-yl]-3-(trifluoromethyl)pyridine-2-carboxamide
CID 91223644
bis[(1S)-1-[5-[4-[2-fluoro-4-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]carbamoyl]phenyl]-1-methylpyrazol-5-yl]tetrazol-1-yl]ethyl] carbonate
CID 121268232
N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide
CID 122445408

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)methyl]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)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]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)methyl]pyrimidin-2-yl]-N-[(1R)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]pyridine-2-carboxamide;4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1R)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]propyl]benzamide?
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)methyl]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)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]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)methyl]pyrimidin-2-yl]-N-[(1R)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]pyridine-2-carboxamide;4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1R)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]propyl]benzamide (CID 159406295) is N-[[6-[4-(1-fluoroethyl)-3-methylpyrazol-1-yl]-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]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)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]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)methyl]pyrimidin-2-yl]-N-[(1R)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]pyridine-2-carboxamide;4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1R)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]propyl]benzamide.
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)methyl]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)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]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)methyl]pyrimidin-2-yl]-N-[(1R)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]pyridine-2-carboxamide;4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1R)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]propyl]benzamide?
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)methyl]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)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]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)methyl]pyrimidin-2-yl]-N-[(1R)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]pyridine-2-carboxamide;4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1R)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]propyl]benzamide is CC[C@@H](NC(=O)c1ccc(-c2nc(C)cc(Cc3cc(C)[nH]n3)n2)cc1)c1ccc(-n2cc(C)cn2)nc1.Cc1cc(Cc2cc(C)[nH]n2)nc(-c2ccc(C(=O)NCc3ccc(-n4cc(C(C)F)c(C)n4)nc3)nc2)n1.Cc1cc(Cc2cc(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(Cc5cc(C)[nH]n5)n4)cn3)cn2)c1.Cc1cnn(-c2cnc([C@H](C)NC(=O)c3ccc(-c4nc(C)cc(Cc5cc(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)methyl]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)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]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)methyl]pyrimidin-2-yl]-N-[(1R)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]pyridine-2-carboxamide;4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1R)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]propyl]benzamide?
The InChIKey is LNZNXRSIONGWFQ-HHNFYIGSSA-N. The full InChI is InChI=1S/C29H30N8O.C28H28FN9O.C27H26FN9O.C27H27N9O.C26H26N10O/c1-5-26(23-10-11-27(30-16-23)37-17-18(2)15-31-37)34-29(38)22-8-6-21(7-9-22)28-32-19(3)12-24(33-28)14-25-13-20(4)35-36-25;1-16-9-22(11-23-10-17(2)35-36-23)34-27(33-16)21-6-7-25(30-14-21)28(39)32-13-20-5-8-26(31-12-20)38-15-24(18(3)29)19(4)37-38;1-16-8-22(10-23-9-17(2)35-36-23)34-26(33-16)20-5-6-24(29-13-20)27(38)31-12-19-4-7-25(30-11-19)37-15-21(14-32-37)18(3)28;1-16-12-30-36(15-16)25-8-6-20(13-29-25)19(4)32-27(37)24-7-5-21(14-28-24)26-31-17(2)9-22(33-26)11-23-10-18(3)34-35-23;1-15-10-30-36(14-15)24-13-28-23(12-29-24)18(4)32-26(37)22-6-5-19(11-27-22)25-31-16(2)7-20(33-25)9-21-8-17(3)34-35-21/h6-13,15-17,26H,5,14H2,1-4H3,(H,34,38)(H,35,36);5-10,12,14-15,18H,11,13H2,1-4H3,(H,32,39)(H,35,36);4-9,11,13-15,18H,10,12H2,1-3H3,(H,31,38)(H,35,36);5-10,12-15,19H,11H2,1-4H3,(H,32,37)(H,34,35);5-8,10-14,18H,9H2,1-4H3,(H,32,37)(H,34,35)/t26-;;;19-;18-/m1..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)methyl]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)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]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)methyl]pyrimidin-2-yl]-N-[(1R)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]pyridine-2-carboxamide;4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1R)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]propyl]benzamide?
N-[[6-[4-(1-fluoroethyl)-3-methylpyrazol-1-yl]-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]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)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]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)methyl]pyrimidin-2-yl]-N-[(1R)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]pyridine-2-carboxamide;4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1R)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]propyl]benzamide has a molecular weight of 2531.91 g/mol, XLogP of 20.27, 38 rotatable bonds, 10 hydrogen bond donors, and 40 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)methyl]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)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]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)methyl]pyrimidin-2-yl]-N-[(1R)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]pyridine-2-carboxamide;4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1R)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]propyl]benzamide is sourced from PubChem (CID 159406295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).