2-[4-[[4-[(5-cyclobutyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[(5-thiophen-2-yl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetonitrile

C104H93N35S2 — CID 159661303

IUPAC2-[4-[[4-[(5-cyclobutyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[(5-thiophen-2-yl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetonitrile
SMILESCc1ccc(-c2cc(Nc3nc(Nc4ccc(CC#N)cc4)nc4ccccc34)n[nH]2)s1.N#CCc1ccc(Nc2nc(Nc3cc(C4CC4)[nH]n3)c3ccccc3n2)cc1.N#CCc1ccc(Nc2nccc(Nc3cc(-c4cccs4)[nH]n3)n2)cc1.N#CCc1ccc(Nc2nccc(Nc3cc(C4CCC4)[nH]n3)n2)cc1.N#CCc1ccc(Nc2nccc(Nc3cc(C4CCCC4)[nH]n3)n2)cc1
InChIInChI=1S/C24H19N7S.C22H19N7.C20H21N7.C19H15N7S.C19H19N7/c1-15-6-11-21(32-15)20-14-22(31-30-20)28-23-18-4-2-3-5-19(18)27-24(29-23)26-17-9-7-16(8-10-17)12-13-25;23-12-11-14-5-9-16(10-6-14)24-22-25-18-4-2-1-3-17(18)21(27-22)26-20-13-19(28-29-20)15-7-8-15;21-11-9-14-5-7-16(8-6-14)23-20-22-12-10-18(25-20)24-19-13-17(26-27-19)15-3-1-2-4-15;20-9-7-13-3-5-14(6-4-13)22-19-21-10-8-17(24-19)23-18-12-15(25-26-18)16-2-1-11-27-16;20-10-8-13-4-6-15(7-5-13)22-19-21-11-9-17(24-19)23-18-12-16(25-26-18)14-2-1-3-14/h2-11,14H,12H2,1H3,(H3,26,27,28,29,30,31);1-6,9-10,13,15H,7-8,11H2,(H3,24,25,26,27,28,29);5-8,10,12-13,15H,1-4,9H2,(H3,22,23,24,25,26,27);1-6,8,10-12H,7H2,(H3,21,22,23,24,25,26);4-7,9,11-12,14H,1-3,8H2,(H3,21,22,23,24,25,26)
InChIKeyMSVNIBYEBMCCHL-UHFFFAOYSA-N
MW1897.27 g/mol
LogP23.64
Rot. Bonds30

About 2-[4-[[4-[(5-cyclobutyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[(5-thiophen-2-yl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetonitrile

2-[4-[[4-[(5-cyclobutyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[(5-thiophen-2-yl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetonitrile (PubChem CID 159661303) has the molecular formula C104H93N35S2 and a molecular weight of 1897.27 g/mol. Its IUPAC name is 2-[4-[[4-[(5-cyclobutyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[(5-thiophen-2-yl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-[[4-[(5-cyclobutyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[(5-thiophen-2-yl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetonitrile
PubChem CID159661303
Molecular FormulaC104H93N35S2
Molecular Weight1897.27 g/mol
Exact Mass1895.78
IUPAC Name2-[4-[[4-[(5-cyclobutyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[(5-thiophen-2-yl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetonitrile
SMILESCc1ccc(-c2cc(Nc3nc(Nc4ccc(CC#N)cc4)nc4ccccc34)n[nH]2)s1.N#CCc1ccc(Nc2nc(Nc3cc(C4CC4)[nH]n3)c3ccccc3n2)cc1.N#CCc1ccc(Nc2nccc(Nc3cc(-c4cccs4)[nH]n3)n2)cc1.N#CCc1ccc(Nc2nccc(Nc3cc(C4CCC4)[nH]n3)n2)cc1.N#CCc1ccc(Nc2nccc(Nc3cc(C4CCCC4)[nH]n3)n2)cc1
InChIInChI=1S/C24H19N7S.C22H19N7.C20H21N7.C19H15N7S.C19H19N7/c1-15-6-11-21(32-15)20-14-22(31-30-20)28-23-18-4-2-3-5-19(18)27-24(29-23)26-17-9-7-16(8-10-17)12-13-25;23-12-11-14-5-9-16(10-6-14)24-22-25-18-4-2-1-3-17(18)21(27-22)26-20-13-19(28-29-20)15-7-8-15;21-11-9-14-5-7-16(8-6-14)23-20-22-12-10-18(25-20)24-19-13-17(26-27-19)15-3-1-2-4-15;20-9-7-13-3-5-14(6-4-13)22-19-21-10-8-17(24-19)23-18-12-15(25-26-18)16-2-1-11-27-16;20-10-8-13-4-6-15(7-5-13)22-19-21-11-9-17(24-19)23-18-12-16(25-26-18)14-2-1-3-14/h2-11,14H,12H2,1H3,(H3,26,27,28,29,30,31);1-6,9-10,13,15H,7-8,11H2,(H3,24,25,26,27,28,29);5-8,10,12-13,15H,1-4,9H2,(H3,22,23,24,25,26,27);1-6,8,10-12H,7H2,(H3,21,22,23,24,25,26);4-7,9,11-12,14H,1-3,8H2,(H3,21,22,23,24,25,26)
InChIKeyMSVNIBYEBMCCHL-UHFFFAOYSA-N
XLogP23.64
TPSA511.55 Ų
H-Bond Donors15
H-Bond Acceptors32
Rotatable Bonds30
Heavy Atoms141
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001897.27
LogP ≤ 523.64
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1032

Analyze 2-[4-[[4-[(5-cyclobutyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[(5-thiophen-2-yl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetonitrile with MolForge

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Related Compounds

N-(5-tert-butyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(4-phenyl-1H-pyrazol-5-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(5-phenyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(4-thiophen-2-yl-1H-pyrazol-5-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 161093567
N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-N-phenyl-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;4-[[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]amino]benzonitrile;N-(1H-pyrazol-5-yl)quinazolin-4-amine
CID 91123763
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N,2-N-dimethylquinazoline-2,4-diamine;4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(pyridin-3-ylmethyl)quinazoline-2,4-diamine;bis(N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine)
CID 91198563
4-(cyclopenten-1-yl)-2-(5-piperidin-4-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine;4-(2,3-dihydrothiophen-4-yl)-2-(5-pyridin-4-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine;ethane;2-[5-(5-methyl-3-pyridinyl)-1H-indazol-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine
CID 145034379
(3E,5E)-N-(1-phenylethenyl)-5-[3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]hepta-1,3,5-trien-3-amine;3-[4-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 145248433
ethane;(3E,5E)-N-(4-methylpent-1-en-2-yl)-5-[3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]hepta-1,3,5-trien-3-amine;5-(4-methyl-3-pyridinyl)-3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridine
CID 145248534
2-[5-[5-[(3-methylpyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine;N-(1-phenylethenyl)-5-[3-(4-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine
CID 145254109
N,N-dimethyl-1-[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methanamine;methane;2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-2-yl-3H-imidazo[4,5-c]pyridine;N-propan-2-yl-5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine;2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-2-yl-3H-imidazo[4,5-c]pyridine
CID 157809166
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidin-4-amine;2-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-isoquinolin-3-ylthieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-phenylpyrimidin-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 157999071
N,N-dimethyl-5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine;2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridine;5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine;N-[[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine;7-(5-methylthiophen-2-yl)-2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridine
CID 158079393
5,5-dimethylhex-2-ynylcyclobutane;5,5-dimethylhex-2-ynylcyclopentane;5,5-dimethylhex-2-ynylcyclopropane;6-(4,4-dimethylpent-2-ynyl)-1H-benzimidazole;5-(4,4-dimethylpent-2-ynyl)-2-benzothiophene;7-(4,4-dimethylpent-2-ynyl)cinnoline;6-(4,4-dimethylpent-2-ynyl)-1H-indazole;6-(4,4-dimethylpent-2-ynyl)-1H-indole;5-(4,4-dimethylpent-2-ynyl)-2H-isoindole;4-(4,4-dimethylpent-2-ynyl)pyridazine;3-(4,4-dimethylpent-2-ynyl)pyridine;4-(4,4-dimethylpent-2-ynyl)pyridine;6-(4,4-dimethylpent-2-ynyl)quinoline;6-(4,4-dimethylpent-2-ynyl)quinoxaline;3-(4,4-dimethylpent-2-ynyl)thiophene
CID 158343341
3-propan-2-yl-5,6-dihydroisoquinoline;6-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidine;4-propan-2-yl-7H-pyrrolo[3,4-d]pyrimidine;2-propan-2-ylquinoline;7-propan-2-ylthieno[2,3-c]pyridine;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole
CID 158378895

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-[(5-cyclobutyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[(5-thiophen-2-yl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetonitrile?
The IUPAC name of 2-[4-[[4-[(5-cyclobutyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[(5-thiophen-2-yl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetonitrile (CID 159661303) is 2-[4-[[4-[(5-cyclobutyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[(5-thiophen-2-yl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetonitrile.
What is the SMILES notation for 2-[4-[[4-[(5-cyclobutyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[(5-thiophen-2-yl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetonitrile?
The canonical SMILES for 2-[4-[[4-[(5-cyclobutyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[(5-thiophen-2-yl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetonitrile is Cc1ccc(-c2cc(Nc3nc(Nc4ccc(CC#N)cc4)nc4ccccc34)n[nH]2)s1.N#CCc1ccc(Nc2nc(Nc3cc(C4CC4)[nH]n3)c3ccccc3n2)cc1.N#CCc1ccc(Nc2nccc(Nc3cc(-c4cccs4)[nH]n3)n2)cc1.N#CCc1ccc(Nc2nccc(Nc3cc(C4CCC4)[nH]n3)n2)cc1.N#CCc1ccc(Nc2nccc(Nc3cc(C4CCCC4)[nH]n3)n2)cc1.
What is the InChIKey of 2-[4-[[4-[(5-cyclobutyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[(5-thiophen-2-yl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetonitrile?
The InChIKey is MSVNIBYEBMCCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N7S.C22H19N7.C20H21N7.C19H15N7S.C19H19N7/c1-15-6-11-21(32-15)20-14-22(31-30-20)28-23-18-4-2-3-5-19(18)27-24(29-23)26-17-9-7-16(8-10-17)12-13-25;23-12-11-14-5-9-16(10-6-14)24-22-25-18-4-2-1-3-17(18)21(27-22)26-20-13-19(28-29-20)15-7-8-15;21-11-9-14-5-7-16(8-6-14)23-20-22-12-10-18(25-20)24-19-13-17(26-27-19)15-3-1-2-4-15;20-9-7-13-3-5-14(6-4-13)22-19-21-10-8-17(24-19)23-18-12-15(25-26-18)16-2-1-11-27-16;20-10-8-13-4-6-15(7-5-13)22-19-21-11-9-17(24-19)23-18-12-16(25-26-18)14-2-1-3-14/h2-11,14H,12H2,1H3,(H3,26,27,28,29,30,31);1-6,9-10,13,15H,7-8,11H2,(H3,24,25,26,27,28,29);5-8,10,12-13,15H,1-4,9H2,(H3,22,23,24,25,26,27);1-6,8,10-12H,7H2,(H3,21,22,23,24,25,26);4-7,9,11-12,14H,1-3,8H2,(H3,21,22,23,24,25,26).
What are the key properties of 2-[4-[[4-[(5-cyclobutyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[(5-thiophen-2-yl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetonitrile?
2-[4-[[4-[(5-cyclobutyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[(5-thiophen-2-yl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetonitrile has a molecular weight of 1897.27 g/mol, XLogP of 23.64, 30 rotatable bonds, 15 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-[(5-cyclobutyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[(5-thiophen-2-yl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetonitrile is sourced from PubChem (CID 159661303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).