2-[4-[[4-[(5-cyclobutyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[(5-cyclohexyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]ethanol;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

C129H121N41OS2 — CID 158714712

IUPAC2-[4-[[4-[(5-cyclobutyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[(5-cyclohexyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]ethanol;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(Nc2nc(Nc3cc(C4CCC4)[nH]n3)c3ccccc3n2)cc1.N#CCc1ccc(Nc2nccc(Nc3cc(-c4cccs4)[nH]n3)n2)cc1.N#CCc1ccc(Nc2nccc(Nc3cc(C4CCCC4)[nH]n3)n2)cc1.OCCc1ccc(Nc2nccc(Nc3cc(C4CCCCC4)[nH]n3)n2)cc1
InChIInChI=1S/C24H19N7S.C23H21N7.C22H19N7.C21H26N6O.C20H21N7.C19H15N7S/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;24-13-12-15-8-10-17(11-9-15)25-23-26-19-7-2-1-6-18(19)22(28-23)27-21-14-20(29-30-21)16-4-3-5-16;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;28-13-11-15-6-8-17(9-7-15)23-21-22-12-10-19(25-21)24-20-14-18(26-27-20)16-4-2-1-3-5-16;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/h2-11,14H,12H2,1H3,(H3,26,27,28,29,30,31);1-2,6-11,14,16H,3-5,12H2,(H3,25,26,27,28,29,30);1-6,9-10,13,15H,7-8,11H2,(H3,24,25,26,27,28,29);6-10,12,14,16,28H,1-5,11,13H2,(H3,22,23,24,25,26,27);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)
InChIKeyIJDZZEAXKSQYLL-UHFFFAOYSA-N
MW2325.81 g/mol
LogP29.06
Rot. Bonds37

About 2-[4-[[4-[(5-cyclobutyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[(5-cyclohexyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]ethanol;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]quinazolin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[(5-cyclohexyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]ethanol;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 158714712) has the molecular formula C129H121N41OS2 and a molecular weight of 2325.81 g/mol. Its IUPAC name is 2-[4-[[4-[(5-cyclobutyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[(5-cyclohexyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]ethanol;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]quinazolin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[(5-cyclohexyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]ethanol;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 CID158714712
Molecular FormulaC129H121N41OS2
Molecular Weight2325.81 g/mol
Exact Mass2324.01
IUPAC Name2-[4-[[4-[(5-cyclobutyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[(5-cyclohexyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]ethanol;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(Nc2nc(Nc3cc(C4CCC4)[nH]n3)c3ccccc3n2)cc1.N#CCc1ccc(Nc2nccc(Nc3cc(-c4cccs4)[nH]n3)n2)cc1.N#CCc1ccc(Nc2nccc(Nc3cc(C4CCCC4)[nH]n3)n2)cc1.OCCc1ccc(Nc2nccc(Nc3cc(C4CCCCC4)[nH]n3)n2)cc1
InChIInChI=1S/C24H19N7S.C23H21N7.C22H19N7.C21H26N6O.C20H21N7.C19H15N7S/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;24-13-12-15-8-10-17(11-9-15)25-23-26-19-7-2-1-6-18(19)22(28-23)27-21-14-20(29-30-21)16-4-3-5-16;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;28-13-11-15-6-8-17(9-7-15)23-21-22-12-10-19(25-21)24-20-14-18(26-27-20)16-4-2-1-3-5-16;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/h2-11,14H,12H2,1H3,(H3,26,27,28,29,30,31);1-2,6-11,14,16H,3-5,12H2,(H3,25,26,27,28,29,30);1-6,9-10,13,15H,7-8,11H2,(H3,24,25,26,27,28,29);6-10,12,14,16,28H,1-5,11,13H2,(H3,22,23,24,25,26,27);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)
InChIKeyIJDZZEAXKSQYLL-UHFFFAOYSA-N
XLogP29.06
TPSA610.30 Ų
H-Bond Donors19
H-Bond Acceptors38
Rotatable Bonds37
Heavy Atoms173
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002325.81
LogP ≤ 529.06
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1038

Analyze 2-[4-[[4-[(5-cyclobutyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[(5-cyclohexyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]ethanol;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

2-N-(3,5-dimethylphenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]benzonitrile;2-[4-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]phenyl]ethanol;4-N-(1H-indazol-5-yl)-2-N-(4-methylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 159205196
2-[4-[[4-[(5-cyclobutyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[(5-cyclohexyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[(5-cyclohexyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]ethanol;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]propan-2-one;2-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenyl]acetonitrile
CID 159530647
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
1-[4-[4-[(3S)-3-cyclobutylmorpholin-4-yl]-6-(1,5-dimethyl-6-methylidene-3-pyridinyl)quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[4-[(3S)-3-cyclopropylmorpholin-4-yl]-6-(6-methyl-7-methylidene-1H-pyrrolo[2,3-c]pyridin-4-yl)quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[6-(1,5-dimethyl-6-methylidene-3-pyridinyl)-4-[(3R)-3-thiophen-2-ylmorpholin-4-yl]quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[4-[(3S)-3-(4-fluorophenyl)morpholin-4-yl]-6-(6-methyl-7-methylidene-1H-pyrrolo[2,3-c]pyridin-4-yl)quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol;2-methyl-1-[4-[6-(6-methyl-7-methylidene-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-2-yl]pyrazol-1-yl]propan-2-ol
CID 167567132

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-[(5-cyclobutyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[(5-cyclohexyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]ethanol;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]quinazolin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[(5-cyclohexyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]ethanol;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 158714712) is 2-[4-[[4-[(5-cyclobutyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[(5-cyclohexyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]ethanol;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]quinazolin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[(5-cyclohexyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]ethanol;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]quinazolin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[(5-cyclohexyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]ethanol;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(Nc2nc(Nc3cc(C4CCC4)[nH]n3)c3ccccc3n2)cc1.N#CCc1ccc(Nc2nccc(Nc3cc(-c4cccs4)[nH]n3)n2)cc1.N#CCc1ccc(Nc2nccc(Nc3cc(C4CCCC4)[nH]n3)n2)cc1.OCCc1ccc(Nc2nccc(Nc3cc(C4CCCCC4)[nH]n3)n2)cc1.
What is the InChIKey of 2-[4-[[4-[(5-cyclobutyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[(5-cyclohexyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]ethanol;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 IJDZZEAXKSQYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N7S.C23H21N7.C22H19N7.C21H26N6O.C20H21N7.C19H15N7S/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;24-13-12-15-8-10-17(11-9-15)25-23-26-19-7-2-1-6-18(19)22(28-23)27-21-14-20(29-30-21)16-4-3-5-16;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;28-13-11-15-6-8-17(9-7-15)23-21-22-12-10-19(25-21)24-20-14-18(26-27-20)16-4-2-1-3-5-16;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/h2-11,14H,12H2,1H3,(H3,26,27,28,29,30,31);1-2,6-11,14,16H,3-5,12H2,(H3,25,26,27,28,29,30);1-6,9-10,13,15H,7-8,11H2,(H3,24,25,26,27,28,29);6-10,12,14,16,28H,1-5,11,13H2,(H3,22,23,24,25,26,27);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).
What are the key properties of 2-[4-[[4-[(5-cyclobutyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[(5-cyclohexyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]ethanol;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]quinazolin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[(5-cyclohexyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]ethanol;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 2325.81 g/mol, XLogP of 29.06, 37 rotatable bonds, 19 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-[(5-cyclobutyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[(5-cyclohexyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]ethanol;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 158714712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).