N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[4-(1-fluoroethoxy)phenyl]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-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide;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;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]pyridine-2-carboxamide

C158H164FN41O10 — CID 161211004

IUPACN-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[4-(1-fluoroethoxy)phenyl]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-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide;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;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]pyridine-2-carboxamide
SMILESCCOc1ccc([C@@H](C)NC(=O)c2ncc(-c3nc(C)cc(Cc4cc(C)[nH]n4)n3)cc2C)cc1.CCOc1ccc([C@H](C)NC(=O)c2ncc(-c3nc(C)cc(Cc4cc(C)[nH]n4)n3)cc2C)cc1.Cc1cc(Cc2cc(C)[nH]n2)nc(-c2ccc(C(=O)NCc3ccc(OC(C)C)cc3)nc2)n1.Cc1cc(Cc2cc(C)[nH]n2)nc(-c2ccc(C(=O)NCc3ccc(OC(C)F)cc3)nc2)n1.Cc1cc(Cc2cc(C)[nH]n2)nc(-c2cnc(C(=O)NCc3ccc(-n4cccn4)nc3)c(C)c2)n1.Cc1ccn(-c2ccc(CNC(=O)c3ccc(-c4nc(C)cc(Cc5cc(C)[nH]n5)n4)cn3)cn2)c1
InChIInChI=1S/C27H26N8O.2C27H30N6O2.C26H25N9O.C26H28N6O2.C25H25FN6O2/c1-17-8-9-35(16-17)25-7-4-20(13-29-25)14-30-27(36)24-6-5-21(15-28-24)26-31-18(2)10-22(32-26)12-23-11-19(3)33-34-23;2*1-6-35-24-9-7-20(8-10-24)19(5)30-27(34)25-16(2)11-21(15-28-25)26-29-17(3)12-22(31-26)14-23-13-18(4)32-33-23;1-16-9-20(25-31-17(2)10-21(32-25)12-22-11-18(3)33-34-22)15-28-24(16)26(36)29-14-19-5-6-23(27-13-19)35-8-4-7-30-35;1-16(2)34-23-8-5-19(6-9-23)14-28-26(33)24-10-7-20(15-27-24)25-29-17(3)11-21(30-25)13-22-12-18(4)31-32-22;1-15-10-20(12-21-11-16(2)31-32-21)30-24(29-15)19-6-9-23(27-14-19)25(33)28-13-18-4-7-22(8-5-18)34-17(3)26/h4-11,13,15-16H,12,14H2,1-3H3,(H,30,36)(H,33,34);2*7-13,15,19H,6,14H2,1-5H3,(H,30,34)(H,32,33);4-11,13,15H,12,14H2,1-3H3,(H,29,36)(H,33,34);5-12,15-16H,13-14H2,1-4H3,(H,28,33)(H,31,32);4-11,14,17H,12-13H2,1-3H3,(H,28,33)(H,31,32)/t;2*19-;;;/m.10.../s1
InChIKeyUWFRASPVMLRPFP-PMUYWILYSA-N
MW2816.32 g/mol
LogP24.80
Rot. Bonds46

About N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[4-(1-fluoroethoxy)phenyl]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-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide;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;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]pyridine-2-carboxamide

N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[4-(1-fluoroethoxy)phenyl]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-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide;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;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]pyridine-2-carboxamide (PubChem CID 161211004) has the molecular formula C158H164FN41O10 and a molecular weight of 2816.32 g/mol. Its IUPAC name is N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[4-(1-fluoroethoxy)phenyl]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-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide;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;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[4-(1-fluoroethoxy)phenyl]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-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide;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;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]pyridine-2-carboxamide
PubChem CID161211004
Molecular FormulaC158H164FN41O10
Molecular Weight2816.32 g/mol
Exact Mass2814.36
IUPAC NameN-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[4-(1-fluoroethoxy)phenyl]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-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide;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;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]pyridine-2-carboxamide
SMILESCCOc1ccc([C@@H](C)NC(=O)c2ncc(-c3nc(C)cc(Cc4cc(C)[nH]n4)n3)cc2C)cc1.CCOc1ccc([C@H](C)NC(=O)c2ncc(-c3nc(C)cc(Cc4cc(C)[nH]n4)n3)cc2C)cc1.Cc1cc(Cc2cc(C)[nH]n2)nc(-c2ccc(C(=O)NCc3ccc(OC(C)C)cc3)nc2)n1.Cc1cc(Cc2cc(C)[nH]n2)nc(-c2ccc(C(=O)NCc3ccc(OC(C)F)cc3)nc2)n1.Cc1cc(Cc2cc(C)[nH]n2)nc(-c2cnc(C(=O)NCc3ccc(-n4cccn4)nc3)c(C)c2)n1.Cc1ccn(-c2ccc(CNC(=O)c3ccc(-c4nc(C)cc(Cc5cc(C)[nH]n5)n4)cn3)cn2)c1
InChIInChI=1S/C27H26N8O.2C27H30N6O2.C26H25N9O.C26H28N6O2.C25H25FN6O2/c1-17-8-9-35(16-17)25-7-4-20(13-29-25)14-30-27(36)24-6-5-21(15-28-24)26-31-18(2)10-22(32-26)12-23-11-19(3)33-34-23;2*1-6-35-24-9-7-20(8-10-24)19(5)30-27(34)25-16(2)11-21(15-28-25)26-29-17(3)12-22(31-26)14-23-13-18(4)32-33-23;1-16-9-20(25-31-17(2)10-21(32-25)12-22-11-18(3)33-34-22)15-28-24(16)26(36)29-14-19-5-6-23(27-13-19)35-8-4-7-30-35;1-16(2)34-23-8-5-19(6-9-23)14-28-26(33)24-10-7-20(15-27-24)25-29-17(3)11-21(30-25)13-22-12-18(4)31-32-22;1-15-10-20(12-21-11-16(2)31-32-21)30-24(29-15)19-6-9-23(27-14-19)25(33)28-13-18-4-7-22(8-5-18)34-17(3)26/h4-11,13,15-16H,12,14H2,1-3H3,(H,30,36)(H,33,34);2*7-13,15,19H,6,14H2,1-5H3,(H,30,34)(H,32,33);4-11,13,15H,12,14H2,1-3H3,(H,29,36)(H,33,34);5-12,15-16H,13-14H2,1-4H3,(H,28,33)(H,31,32);4-11,14,17H,12-13H2,1-3H3,(H,28,33)(H,31,32)/t;2*19-;;;/m.10.../s1
InChIKeyUWFRASPVMLRPFP-PMUYWILYSA-N
XLogP24.80
TPSA664.15 Ų
H-Bond Donors12
H-Bond Acceptors39
Rotatable Bonds46
Heavy Atoms210
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002816.32
LogP ≤ 524.80
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1039

Analyze N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[4-(1-fluoroethoxy)phenyl]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-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide;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;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[4-(1-fluoroethoxy)phenyl]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-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide;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;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[4-(1-fluoroethoxy)phenyl]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-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide;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;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]pyridine-2-carboxamide (CID 161211004) is N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[4-(1-fluoroethoxy)phenyl]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-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide;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;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[4-(1-fluoroethoxy)phenyl]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-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide;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;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[4-(1-fluoroethoxy)phenyl]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-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide;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;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]pyridine-2-carboxamide is CCOc1ccc([C@@H](C)NC(=O)c2ncc(-c3nc(C)cc(Cc4cc(C)[nH]n4)n3)cc2C)cc1.CCOc1ccc([C@H](C)NC(=O)c2ncc(-c3nc(C)cc(Cc4cc(C)[nH]n4)n3)cc2C)cc1.Cc1cc(Cc2cc(C)[nH]n2)nc(-c2ccc(C(=O)NCc3ccc(OC(C)C)cc3)nc2)n1.Cc1cc(Cc2cc(C)[nH]n2)nc(-c2ccc(C(=O)NCc3ccc(OC(C)F)cc3)nc2)n1.Cc1cc(Cc2cc(C)[nH]n2)nc(-c2cnc(C(=O)NCc3ccc(-n4cccn4)nc3)c(C)c2)n1.Cc1ccn(-c2ccc(CNC(=O)c3ccc(-c4nc(C)cc(Cc5cc(C)[nH]n5)n4)cn3)cn2)c1.
What is the InChIKey of N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[4-(1-fluoroethoxy)phenyl]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-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide;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;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]pyridine-2-carboxamide?
The InChIKey is UWFRASPVMLRPFP-PMUYWILYSA-N. The full InChI is InChI=1S/C27H26N8O.2C27H30N6O2.C26H25N9O.C26H28N6O2.C25H25FN6O2/c1-17-8-9-35(16-17)25-7-4-20(13-29-25)14-30-27(36)24-6-5-21(15-28-24)26-31-18(2)10-22(32-26)12-23-11-19(3)33-34-23;2*1-6-35-24-9-7-20(8-10-24)19(5)30-27(34)25-16(2)11-21(15-28-25)26-29-17(3)12-22(31-26)14-23-13-18(4)32-33-23;1-16-9-20(25-31-17(2)10-21(32-25)12-22-11-18(3)33-34-22)15-28-24(16)26(36)29-14-19-5-6-23(27-13-19)35-8-4-7-30-35;1-16(2)34-23-8-5-19(6-9-23)14-28-26(33)24-10-7-20(15-27-24)25-29-17(3)11-21(30-25)13-22-12-18(4)31-32-22;1-15-10-20(12-21-11-16(2)31-32-21)30-24(29-15)19-6-9-23(27-14-19)25(33)28-13-18-4-7-22(8-5-18)34-17(3)26/h4-11,13,15-16H,12,14H2,1-3H3,(H,30,36)(H,33,34);2*7-13,15,19H,6,14H2,1-5H3,(H,30,34)(H,32,33);4-11,13,15H,12,14H2,1-3H3,(H,29,36)(H,33,34);5-12,15-16H,13-14H2,1-4H3,(H,28,33)(H,31,32);4-11,14,17H,12-13H2,1-3H3,(H,28,33)(H,31,32)/t;2*19-;;;/m.10.../s1.
What are the key properties of N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[4-(1-fluoroethoxy)phenyl]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-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide;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;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]pyridine-2-carboxamide?
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[4-(1-fluoroethoxy)phenyl]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-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide;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;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]pyridine-2-carboxamide has a molecular weight of 2816.32 g/mol, XLogP of 24.80, 46 rotatable bonds, 12 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[4-(1-fluoroethoxy)phenyl]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-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide;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;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 161211004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).