4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]-N-(3-methylphenyl)benzamide;2-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]phenyl]-1-(3-methylphenyl)ethanone;4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-N-(3-methylphenyl)benzamide;2-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-1-(3-methylphenyl)ethanone

C108H114N26O4 — CID 158581273

IUPAC4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]-N-(3-methylphenyl)benzamide;2-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]phenyl]-1-(3-methylphenyl)ethanone;4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-N-(3-methylphenyl)benzamide;2-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-1-(3-methylphenyl)ethanone
SMILESCc1cccc(C(=O)Cc2ccc(Nc3nc(C)cc(Nc4cc(C5CCCC5)[nH]n4)n3)cc2)c1.Cc1cccc(C(=O)Cc2ccc(Nc3nccc(Nc4cc(C5CCCC5)[nH]n4)n3)cc2)c1.Cc1cccc(NC(=O)c2ccc(Nc3nc(C)cc(Nc4cc(C5CCCC5)[nH]n4)n3)cc2)c1.Cc1cccc(NC(=O)c2ccc(Nc3nccc(Nc4cc(C5CCCC5)[nH]n4)n3)cc2)c1
InChIInChI=1S/C28H30N6O.C27H29N7O.C27H28N6O.C26H27N7O/c1-18-6-5-9-22(14-18)25(35)16-20-10-12-23(13-11-20)30-28-29-19(2)15-26(32-28)31-27-17-24(33-34-27)21-7-3-4-8-21;1-17-6-5-9-22(14-17)29-26(35)20-10-12-21(13-11-20)30-27-28-18(2)15-24(32-27)31-25-16-23(33-34-25)19-7-3-4-8-19;1-18-5-4-8-21(15-18)24(34)16-19-9-11-22(12-10-19)29-27-28-14-13-25(31-27)30-26-17-23(32-33-26)20-6-2-3-7-20;1-17-5-4-8-21(15-17)28-25(34)19-9-11-20(12-10-19)29-26-27-14-13-23(31-26)30-24-16-22(32-33-24)18-6-2-3-7-18/h5-6,9-15,17,21H,3-4,7-8,16H2,1-2H3,(H3,29,30,31,32,33,34);5-6,9-16,19H,3-4,7-8H2,1-2H3,(H,29,35)(H3,28,30,31,32,33,34);4-5,8-15,17,20H,2-3,6-7,16H2,1H3,(H3,28,29,30,31,32,33);4-5,8-16,18H,2-3,6-7H2,1H3,(H,28,34)(H3,27,29,30,31,32,33)
InChIKeyHTGWXABHUCWZEP-UHFFFAOYSA-N
MW1840.28 g/mol
LogP24.58
Rot. Bonds30

About 4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]-N-(3-methylphenyl)benzamide;2-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]phenyl]-1-(3-methylphenyl)ethanone;4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-N-(3-methylphenyl)benzamide;2-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-1-(3-methylphenyl)ethanone

4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]-N-(3-methylphenyl)benzamide;2-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]phenyl]-1-(3-methylphenyl)ethanone;4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-N-(3-methylphenyl)benzamide;2-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-1-(3-methylphenyl)ethanone (PubChem CID 158581273) has the molecular formula C108H114N26O4 and a molecular weight of 1840.28 g/mol. Its IUPAC name is 4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]-N-(3-methylphenyl)benzamide;2-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]phenyl]-1-(3-methylphenyl)ethanone;4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-N-(3-methylphenyl)benzamide;2-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-1-(3-methylphenyl)ethanone.

Molecular Properties

Compound Name4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]-N-(3-methylphenyl)benzamide;2-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]phenyl]-1-(3-methylphenyl)ethanone;4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-N-(3-methylphenyl)benzamide;2-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-1-(3-methylphenyl)ethanone
PubChem CID158581273
Molecular FormulaC108H114N26O4
Molecular Weight1840.28 g/mol
Exact Mass1838.95
IUPAC Name4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]-N-(3-methylphenyl)benzamide;2-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]phenyl]-1-(3-methylphenyl)ethanone;4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-N-(3-methylphenyl)benzamide;2-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-1-(3-methylphenyl)ethanone
SMILESCc1cccc(C(=O)Cc2ccc(Nc3nc(C)cc(Nc4cc(C5CCCC5)[nH]n4)n3)cc2)c1.Cc1cccc(C(=O)Cc2ccc(Nc3nccc(Nc4cc(C5CCCC5)[nH]n4)n3)cc2)c1.Cc1cccc(NC(=O)c2ccc(Nc3nc(C)cc(Nc4cc(C5CCCC5)[nH]n4)n3)cc2)c1.Cc1cccc(NC(=O)c2ccc(Nc3nccc(Nc4cc(C5CCCC5)[nH]n4)n3)cc2)c1
InChIInChI=1S/C28H30N6O.C27H29N7O.C27H28N6O.C26H27N7O/c1-18-6-5-9-22(14-18)25(35)16-20-10-12-23(13-11-20)30-28-29-19(2)15-26(32-28)31-27-17-24(33-34-27)21-7-3-4-8-21;1-17-6-5-9-22(14-17)29-26(35)20-10-12-21(13-11-20)30-27-28-18(2)15-24(32-27)31-25-16-23(33-34-25)19-7-3-4-8-19;1-18-5-4-8-21(15-18)24(34)16-19-9-11-22(12-10-19)29-27-28-14-13-25(31-27)30-26-17-23(32-33-26)20-6-2-3-7-20;1-17-5-4-8-21(15-17)28-25(34)19-9-11-20(12-10-19)29-26-27-14-13-23(31-26)30-24-16-22(32-33-24)18-6-2-3-7-18/h5-6,9-15,17,21H,3-4,7-8,16H2,1-2H3,(H3,29,30,31,32,33,34);5-6,9-16,19H,3-4,7-8H2,1-2H3,(H,29,35)(H3,28,30,31,32,33,34);4-5,8-15,17,20H,2-3,6-7,16H2,1H3,(H3,28,29,30,31,32,33);4-5,8-16,18H,2-3,6-7H2,1H3,(H,28,34)(H3,27,29,30,31,32,33)
InChIKeyHTGWXABHUCWZEP-UHFFFAOYSA-N
XLogP24.58
TPSA406.42 Ų
H-Bond Donors14
H-Bond Acceptors24
Rotatable Bonds30
Heavy Atoms138
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001840.28
LogP ≤ 524.58
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1024

Analyze 4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]-N-(3-methylphenyl)benzamide;2-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]phenyl]-1-(3-methylphenyl)ethanone;4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-N-(3-methylphenyl)benzamide;2-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-1-(3-methylphenyl)ethanone with MolForge

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Related Compounds

N-benzyl-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;N-cyclohexyl-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;N-(3,3-diphenylpropyl)-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;N-hexyl-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;N-(2-phenylethyl)-4-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(3-phenylpropyl)-4-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 157141744
N-cyclohexyl-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(cyclopropylmethyl)-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(2-methyl-4-pyridinyl)-5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(piperidin-4-ylmethyl)-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 157817601
1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-(3-methylphenyl)propan-2-one;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-[3-(trifluoromethyl)phenyl]propan-2-one
CID 158134261
1-[3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-(3-methylphenyl)urea;N-[3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-(trifluoromethyl)benzamide;2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;1-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-[3-(trifluoromethyl)phenyl]propan-2-one
CID 158137434
1-[3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-(3-methylphenyl)urea;1-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-[3-(trifluoromethyl)phenyl]propan-2-one
CID 158222279
N-cyclobutyl-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(cyclohexylmethyl)-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-cyclohexyl-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(cyclopropylmethyl)-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(2-methyl-4-pyridinyl)-5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;1-[4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]ethanone
CID 158271343
1-[3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-(3-methylphenyl)urea;1-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-[3-(trifluoromethyl)phenyl]propan-2-one;methane
CID 158408917
N,N-dimethyl-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[(1-methylpiperidin-4-yl)methyl]-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-methyl-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(piperidin-4-ylmethyl)-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-piperidin-4-yl-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 158509793
N-cyclobutyl-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-cyclohexyl-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(cyclopropylmethyl)-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(2-methyl-4-pyridinyl)-5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(piperidin-4-ylmethyl)-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 159080097
5-[4-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)amino]-5,6-dimethylpyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4,5-dimethyl-6-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)amino]pyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]-6-pyridin-4-ylpyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)amino]-5,6,7,8-tetrahydroquinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one
CID 161985570
5-methyl-2-[2-methyl-4-(2-methylphenyl)phenyl]-N-(3,4,5-trimethyl-2-pyridinyl)pyrazole-3-carboxamide;5-methyl-2-[5-(2-methylphenyl)-2-pyridinyl]-N-(3,4,5-trimethyl-2-pyridinyl)pyrazole-3-carboxamide;5-methyl-2-[5-(2-methylphenyl)-2-pyridinyl]-N-(3,5,6-trimethyl-2-pyridinyl)pyrazole-3-carboxamide;5-methyl-2-[5-(2-methylphenyl)pyrimidin-2-yl]-N-(3,5,6-trimethyl-2-pyridinyl)pyrazole-3-carboxamide
CID 90786133
5-methyl-2-[2-methyl-4-(2-methylphenyl)phenyl]-N-(2,4,5-trimethylphenyl)pyrazole-3-carboxamide;5-methyl-2-[2-methyl-4-(2-methylphenyl)phenyl]-N-(3,5,6-trimethyl-2-pyridinyl)pyrazole-3-carboxamide;5-methyl-2-[5-(2-methylphenyl)-2-pyridinyl]-N-(2,4,5-trimethylphenyl)pyrazole-3-carboxamide;5-methyl-2-[5-(2-methylphenyl)pyrimidin-2-yl]-N-(2,4,5-trimethylphenyl)pyrazole-3-carboxamide
CID 91025656

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]-N-(3-methylphenyl)benzamide;2-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]phenyl]-1-(3-methylphenyl)ethanone;4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-N-(3-methylphenyl)benzamide;2-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-1-(3-methylphenyl)ethanone?
The IUPAC name of 4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]-N-(3-methylphenyl)benzamide;2-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]phenyl]-1-(3-methylphenyl)ethanone;4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-N-(3-methylphenyl)benzamide;2-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-1-(3-methylphenyl)ethanone (CID 158581273) is 4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]-N-(3-methylphenyl)benzamide;2-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]phenyl]-1-(3-methylphenyl)ethanone;4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-N-(3-methylphenyl)benzamide;2-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-1-(3-methylphenyl)ethanone.
What is the SMILES notation for 4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]-N-(3-methylphenyl)benzamide;2-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]phenyl]-1-(3-methylphenyl)ethanone;4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-N-(3-methylphenyl)benzamide;2-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-1-(3-methylphenyl)ethanone?
The canonical SMILES for 4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]-N-(3-methylphenyl)benzamide;2-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]phenyl]-1-(3-methylphenyl)ethanone;4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-N-(3-methylphenyl)benzamide;2-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-1-(3-methylphenyl)ethanone is Cc1cccc(C(=O)Cc2ccc(Nc3nc(C)cc(Nc4cc(C5CCCC5)[nH]n4)n3)cc2)c1.Cc1cccc(C(=O)Cc2ccc(Nc3nccc(Nc4cc(C5CCCC5)[nH]n4)n3)cc2)c1.Cc1cccc(NC(=O)c2ccc(Nc3nc(C)cc(Nc4cc(C5CCCC5)[nH]n4)n3)cc2)c1.Cc1cccc(NC(=O)c2ccc(Nc3nccc(Nc4cc(C5CCCC5)[nH]n4)n3)cc2)c1.
What is the InChIKey of 4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]-N-(3-methylphenyl)benzamide;2-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]phenyl]-1-(3-methylphenyl)ethanone;4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-N-(3-methylphenyl)benzamide;2-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-1-(3-methylphenyl)ethanone?
The InChIKey is HTGWXABHUCWZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6O.C27H29N7O.C27H28N6O.C26H27N7O/c1-18-6-5-9-22(14-18)25(35)16-20-10-12-23(13-11-20)30-28-29-19(2)15-26(32-28)31-27-17-24(33-34-27)21-7-3-4-8-21;1-17-6-5-9-22(14-17)29-26(35)20-10-12-21(13-11-20)30-27-28-18(2)15-24(32-27)31-25-16-23(33-34-25)19-7-3-4-8-19;1-18-5-4-8-21(15-18)24(34)16-19-9-11-22(12-10-19)29-27-28-14-13-25(31-27)30-26-17-23(32-33-26)20-6-2-3-7-20;1-17-5-4-8-21(15-17)28-25(34)19-9-11-20(12-10-19)29-26-27-14-13-23(31-26)30-24-16-22(32-33-24)18-6-2-3-7-18/h5-6,9-15,17,21H,3-4,7-8,16H2,1-2H3,(H3,29,30,31,32,33,34);5-6,9-16,19H,3-4,7-8H2,1-2H3,(H,29,35)(H3,28,30,31,32,33,34);4-5,8-15,17,20H,2-3,6-7,16H2,1H3,(H3,28,29,30,31,32,33);4-5,8-16,18H,2-3,6-7H2,1H3,(H,28,34)(H3,27,29,30,31,32,33).
What are the key properties of 4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]-N-(3-methylphenyl)benzamide;2-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]phenyl]-1-(3-methylphenyl)ethanone;4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-N-(3-methylphenyl)benzamide;2-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-1-(3-methylphenyl)ethanone?
4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]-N-(3-methylphenyl)benzamide;2-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]phenyl]-1-(3-methylphenyl)ethanone;4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-N-(3-methylphenyl)benzamide;2-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-1-(3-methylphenyl)ethanone has a molecular weight of 1840.28 g/mol, XLogP of 24.58, 30 rotatable bonds, 14 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]-N-(3-methylphenyl)benzamide;2-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]phenyl]-1-(3-methylphenyl)ethanone;4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-N-(3-methylphenyl)benzamide;2-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-1-(3-methylphenyl)ethanone is sourced from PubChem (CID 158581273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).