N-[(1S)-1-[6-(4-cyclopropylpyrazol-1-yl)-3-pyridinyl]ethyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1S)-1-(6-pyrazol-1-yl-3-pyridinyl)ethyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]pyridine-2-carboxamide

C138H137N45O5 — CID 157467224

IUPACN-[(1S)-1-[6-(4-cyclopropylpyrazol-1-yl)-3-pyridinyl]ethyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1S)-1-(6-pyrazol-1-yl-3-pyridinyl)ethyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]pyridine-2-carboxamide
SMILESCc1cc(Cc2cc(C)[nH]n2)nc(-c2ccc(C(=O)NCc3ccc(-n4ccc(C5CC5)n4)nc3)nc2)n1.Cc1cc(Cc2cc(C)[nH]n2)nc(-c2ccc(C(=O)NCc3ccc(-n4nc(C)cc4C)nc3)nc2)n1.Cc1cc(Cc2cc(C)[nH]n2)nc(-c2ccc(C(=O)N[C@@H](C)c3ccc(-n4cc(C5CC5)cn4)nc3)nc2)n1.Cc1cc(Cc2cc(C)[nH]n2)nc(-c2cnc(C(=O)N[C@@H](C)c3ccc(-n4cccn4)nc3)c(C)c2)n1.Cc1cnn(-c2ccc([C@H](C)NC(=O)c3ccc(-c4nc(C)cc(Cc5cc(C)[nH]n5)n4)cn3)cn2)c1
InChIInChI=1S/C29H29N9O.C28H27N9O.3C27H27N9O/c1-17-10-24(12-25-11-18(2)36-37-25)35-28(33-17)22-6-8-26(30-14-22)29(39)34-19(3)21-7-9-27(31-13-21)38-16-23(15-32-38)20-4-5-20;1-17-11-22(13-23-12-18(2)34-35-23)33-27(32-17)21-6-7-25(29-16-21)28(38)31-15-19-3-8-26(30-14-19)37-10-9-24(36-37)20-4-5-20;1-16-10-22(12-23-11-17(2)33-34-23)32-26(31-16)21-6-7-24(28-15-21)27(37)30-14-20-5-8-25(29-13-20)36-19(4)9-18(3)35-36;1-16-10-21(26-31-17(2)11-22(33-26)13-23-12-18(3)34-35-23)15-29-25(16)27(37)32-19(4)20-6-7-24(28-14-20)36-9-5-8-30-36;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/h6-11,13-16,19-20H,4-5,12H2,1-3H3,(H,34,39)(H,36,37);3,6-12,14,16,20H,4-5,13,15H2,1-2H3,(H,31,38)(H,34,35);5-11,13,15H,12,14H2,1-4H3,(H,30,37)(H,33,34);5-12,14-15,19H,13H2,1-4H3,(H,32,37)(H,34,35);5-10,12-15,19H,11H2,1-4H3,(H,32,37)(H,34,35)/t19-;;;2*19-/m0..00/s1
InChIKeyBUPUYQSKMWKECW-SQJYSJPUSA-N
MW2505.92 g/mol
LogP19.57
Rot. Bonds37

About N-[(1S)-1-[6-(4-cyclopropylpyrazol-1-yl)-3-pyridinyl]ethyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1S)-1-(6-pyrazol-1-yl-3-pyridinyl)ethyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]pyridine-2-carboxamide

N-[(1S)-1-[6-(4-cyclopropylpyrazol-1-yl)-3-pyridinyl]ethyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1S)-1-(6-pyrazol-1-yl-3-pyridinyl)ethyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]pyridine-2-carboxamide (PubChem CID 157467224) has the molecular formula C138H137N45O5 and a molecular weight of 2505.92 g/mol. Its IUPAC name is N-[(1S)-1-[6-(4-cyclopropylpyrazol-1-yl)-3-pyridinyl]ethyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1S)-1-(6-pyrazol-1-yl-3-pyridinyl)ethyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-[6-(4-cyclopropylpyrazol-1-yl)-3-pyridinyl]ethyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1S)-1-(6-pyrazol-1-yl-3-pyridinyl)ethyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]pyridine-2-carboxamide
PubChem CID157467224
Molecular FormulaC138H137N45O5
Molecular Weight2505.92 g/mol
Exact Mass2504.18
IUPAC NameN-[(1S)-1-[6-(4-cyclopropylpyrazol-1-yl)-3-pyridinyl]ethyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1S)-1-(6-pyrazol-1-yl-3-pyridinyl)ethyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]pyridine-2-carboxamide
SMILESCc1cc(Cc2cc(C)[nH]n2)nc(-c2ccc(C(=O)NCc3ccc(-n4ccc(C5CC5)n4)nc3)nc2)n1.Cc1cc(Cc2cc(C)[nH]n2)nc(-c2ccc(C(=O)NCc3ccc(-n4nc(C)cc4C)nc3)nc2)n1.Cc1cc(Cc2cc(C)[nH]n2)nc(-c2ccc(C(=O)N[C@@H](C)c3ccc(-n4cc(C5CC5)cn4)nc3)nc2)n1.Cc1cc(Cc2cc(C)[nH]n2)nc(-c2cnc(C(=O)N[C@@H](C)c3ccc(-n4cccn4)nc3)c(C)c2)n1.Cc1cnn(-c2ccc([C@H](C)NC(=O)c3ccc(-c4nc(C)cc(Cc5cc(C)[nH]n5)n4)cn3)cn2)c1
InChIInChI=1S/C29H29N9O.C28H27N9O.3C27H27N9O/c1-17-10-24(12-25-11-18(2)36-37-25)35-28(33-17)22-6-8-26(30-14-22)29(39)34-19(3)21-7-9-27(31-13-21)38-16-23(15-32-38)20-4-5-20;1-17-11-22(13-23-12-18(2)34-35-23)33-27(32-17)21-6-7-25(29-16-21)28(38)31-15-19-3-8-26(30-14-19)37-10-9-24(36-37)20-4-5-20;1-16-10-22(12-23-11-17(2)33-34-23)32-26(31-16)21-6-7-24(28-15-21)27(37)30-14-20-5-8-25(29-13-20)36-19(4)9-18(3)35-36;1-16-10-21(26-31-17(2)11-22(33-26)13-23-12-18(3)34-35-23)15-29-25(16)27(37)32-19(4)20-6-7-24(28-14-20)36-9-5-8-30-36;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/h6-11,13-16,19-20H,4-5,12H2,1-3H3,(H,34,39)(H,36,37);3,6-12,14,16,20H,4-5,13,15H2,1-2H3,(H,31,38)(H,34,35);5-11,13,15H,12,14H2,1-4H3,(H,30,37)(H,33,34);5-12,14-15,19H,13H2,1-4H3,(H,32,37)(H,34,35);5-10,12-15,19H,11H2,1-4H3,(H,32,37)(H,34,35)/t19-;;;2*19-/m0..00/s1
InChIKeyBUPUYQSKMWKECW-SQJYSJPUSA-N
XLogP19.57
TPSA635.80 Ų
H-Bond Donors10
H-Bond Acceptors40
Rotatable Bonds37
Heavy Atoms188
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002505.92
LogP ≤ 519.57
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1040

Analyze N-[(1S)-1-[6-(4-cyclopropylpyrazol-1-yl)-3-pyridinyl]ethyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1S)-1-(6-pyrazol-1-yl-3-pyridinyl)ethyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]pyridine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

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
CID 146689347
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 165374230
5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[[6-(3-methylpyrrol-1-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide
CID 161211005
3-methyl-5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-[2-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[6-[[4-(trifluoromethoxy)phenyl]methylcarbamoyl]-3-pyridinyl]pyrimidin-4-yl]ethyl]pyrimidin-2-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide
CID 145134427
N-[(4-ethoxyphenyl)methyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(4-ethoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(4-methoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]-3-(3-methylphenyl)propan-1-one;bis(5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide)
CID 160570036
3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-6-[1-(6-pyrazol-1-yl-3-pyridinyl)ethyl]-3,6-diazabicyclo[3.1.1]heptane
CID 165055229
6-(3-cyclopropylpyrazol-1-yl)pyridine-3-carbaldehyde;6-[[6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane;3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane
CID 165009002
4-methyl-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]piperidine-4-carboxamide
CID 146886841
N-[(4-methoxyphenyl)methyl]-1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]piperidine-4-carboxamide
CID 164994620
(3S,4S)-3-hydroxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridinyl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]piperidine-4-carboxamide
CID 148683393
N-[[6-[(3-cyclopropylpyrazol-1-yl)methyl]-3-pyridinyl]methyl]-5-[4-[(5-ethyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]-3-fluoropyridine-2-carboxamide
CID 142404225
[1-[5-[[3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methyl]-2-pyridinyl]pyrazol-3-yl]methanol;2-[2-[5-[[3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methyl]-2-pyridinyl]pyrazol-3-yl]propan-2-ol;3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-6-[[6-(1-propan-2-ylpyrazol-4-yl)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptane
CID 164999249

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[6-(4-cyclopropylpyrazol-1-yl)-3-pyridinyl]ethyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1S)-1-(6-pyrazol-1-yl-3-pyridinyl)ethyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]pyridine-2-carboxamide?
The IUPAC name of N-[(1S)-1-[6-(4-cyclopropylpyrazol-1-yl)-3-pyridinyl]ethyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1S)-1-(6-pyrazol-1-yl-3-pyridinyl)ethyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]pyridine-2-carboxamide (CID 157467224) is N-[(1S)-1-[6-(4-cyclopropylpyrazol-1-yl)-3-pyridinyl]ethyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1S)-1-(6-pyrazol-1-yl-3-pyridinyl)ethyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-[6-(4-cyclopropylpyrazol-1-yl)-3-pyridinyl]ethyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1S)-1-(6-pyrazol-1-yl-3-pyridinyl)ethyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]pyridine-2-carboxamide?
The canonical SMILES for N-[(1S)-1-[6-(4-cyclopropylpyrazol-1-yl)-3-pyridinyl]ethyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1S)-1-(6-pyrazol-1-yl-3-pyridinyl)ethyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]pyridine-2-carboxamide is Cc1cc(Cc2cc(C)[nH]n2)nc(-c2ccc(C(=O)NCc3ccc(-n4ccc(C5CC5)n4)nc3)nc2)n1.Cc1cc(Cc2cc(C)[nH]n2)nc(-c2ccc(C(=O)NCc3ccc(-n4nc(C)cc4C)nc3)nc2)n1.Cc1cc(Cc2cc(C)[nH]n2)nc(-c2ccc(C(=O)N[C@@H](C)c3ccc(-n4cc(C5CC5)cn4)nc3)nc2)n1.Cc1cc(Cc2cc(C)[nH]n2)nc(-c2cnc(C(=O)N[C@@H](C)c3ccc(-n4cccn4)nc3)c(C)c2)n1.Cc1cnn(-c2ccc([C@H](C)NC(=O)c3ccc(-c4nc(C)cc(Cc5cc(C)[nH]n5)n4)cn3)cn2)c1.
What is the InChIKey of N-[(1S)-1-[6-(4-cyclopropylpyrazol-1-yl)-3-pyridinyl]ethyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1S)-1-(6-pyrazol-1-yl-3-pyridinyl)ethyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]pyridine-2-carboxamide?
The InChIKey is BUPUYQSKMWKECW-SQJYSJPUSA-N. The full InChI is InChI=1S/C29H29N9O.C28H27N9O.3C27H27N9O/c1-17-10-24(12-25-11-18(2)36-37-25)35-28(33-17)22-6-8-26(30-14-22)29(39)34-19(3)21-7-9-27(31-13-21)38-16-23(15-32-38)20-4-5-20;1-17-11-22(13-23-12-18(2)34-35-23)33-27(32-17)21-6-7-25(29-16-21)28(38)31-15-19-3-8-26(30-14-19)37-10-9-24(36-37)20-4-5-20;1-16-10-22(12-23-11-17(2)33-34-23)32-26(31-16)21-6-7-24(28-15-21)27(37)30-14-20-5-8-25(29-13-20)36-19(4)9-18(3)35-36;1-16-10-21(26-31-17(2)11-22(33-26)13-23-12-18(3)34-35-23)15-29-25(16)27(37)32-19(4)20-6-7-24(28-14-20)36-9-5-8-30-36;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/h6-11,13-16,19-20H,4-5,12H2,1-3H3,(H,34,39)(H,36,37);3,6-12,14,16,20H,4-5,13,15H2,1-2H3,(H,31,38)(H,34,35);5-11,13,15H,12,14H2,1-4H3,(H,30,37)(H,33,34);5-12,14-15,19H,13H2,1-4H3,(H,32,37)(H,34,35);5-10,12-15,19H,11H2,1-4H3,(H,32,37)(H,34,35)/t19-;;;2*19-/m0..00/s1.
What are the key properties of N-[(1S)-1-[6-(4-cyclopropylpyrazol-1-yl)-3-pyridinyl]ethyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1S)-1-(6-pyrazol-1-yl-3-pyridinyl)ethyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]pyridine-2-carboxamide?
N-[(1S)-1-[6-(4-cyclopropylpyrazol-1-yl)-3-pyridinyl]ethyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1S)-1-(6-pyrazol-1-yl-3-pyridinyl)ethyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]pyridine-2-carboxamide has a molecular weight of 2505.92 g/mol, XLogP of 19.57, 37 rotatable bonds, 10 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[6-(4-cyclopropylpyrazol-1-yl)-3-pyridinyl]ethyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1S)-1-(6-pyrazol-1-yl-3-pyridinyl)ethyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 157467224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).