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

C111H119N33O2 — CID 159530647

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]-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
SMILESCC(=O)Cc1ccc(Nc2nccc(Nc3cc(C4CCCC4)[nH]n3)n2)cc1.Cc1cc(Nc2cc(C3CCCCC3)[nH]n2)nc(Nc2ccc(CC#N)cc2)n1.N#CCc1ccc(Nc2nc(Nc3cc(C4CCC4)[nH]n3)c3ccccc3n2)cc1.N#CCc1ccc(Nc2nc(Nc3cc(C4CCCC4)[nH]n3)c3ccccc3n2)cc1.OCCc1ccc(Nc2nccc(Nc3cc(C4CCCCC4)[nH]n3)n2)cc1
InChIInChI=1S/C24H23N7.C23H21N7.C22H25N7.C21H24N6O.C21H26N6O/c25-14-13-16-9-11-18(12-10-16)26-24-27-20-8-4-3-7-19(20)23(29-24)28-22-15-21(30-31-22)17-5-1-2-6-17;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;1-15-13-20(26-21-14-19(28-29-21)17-5-3-2-4-6-17)27-22(24-15)25-18-9-7-16(8-10-18)11-12-23;1-14(28)12-15-6-8-17(9-7-15)23-21-22-11-10-19(25-21)24-20-13-18(26-27-20)16-4-2-3-5-16;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/h3-4,7-12,15,17H,1-2,5-6,13H2,(H3,26,27,28,29,30,31);1-2,6-11,14,16H,3-5,12H2,(H3,25,26,27,28,29,30);7-10,13-14,17H,2-6,11H2,1H3,(H3,24,25,26,27,28,29);6-11,13,16H,2-5,12H2,1H3,(H3,22,23,24,25,26,27);6-10,12,14,16,28H,1-5,11,13H2,(H3,22,23,24,25,26,27)
InChIKeyMCYJPILNDAJYJT-UHFFFAOYSA-N
MW1947.40 g/mol
LogP24.59
Rot. Bonds32

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]-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

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 (PubChem CID 159530647) has the molecular formula C111H119N33O2 and a molecular weight of 1947.40 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]-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.

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]-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
PubChem CID159530647
Molecular FormulaC111H119N33O2
Molecular Weight1947.40 g/mol
Exact Mass1946.02
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]-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
SMILESCC(=O)Cc1ccc(Nc2nccc(Nc3cc(C4CCCC4)[nH]n3)n2)cc1.Cc1cc(Nc2cc(C3CCCCC3)[nH]n2)nc(Nc2ccc(CC#N)cc2)n1.N#CCc1ccc(Nc2nc(Nc3cc(C4CCC4)[nH]n3)c3ccccc3n2)cc1.N#CCc1ccc(Nc2nc(Nc3cc(C4CCCC4)[nH]n3)c3ccccc3n2)cc1.OCCc1ccc(Nc2nccc(Nc3cc(C4CCCCC4)[nH]n3)n2)cc1
InChIInChI=1S/C24H23N7.C23H21N7.C22H25N7.C21H24N6O.C21H26N6O/c25-14-13-16-9-11-18(12-10-16)26-24-27-20-8-4-3-7-19(20)23(29-24)28-22-15-21(30-31-22)17-5-1-2-6-17;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;1-15-13-20(26-21-14-19(28-29-21)17-5-3-2-4-6-17)27-22(24-15)25-18-9-7-16(8-10-18)11-12-23;1-14(28)12-15-6-8-17(9-7-15)23-21-22-11-10-19(25-21)24-20-13-18(26-27-20)16-4-2-3-5-16;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/h3-4,7-12,15,17H,1-2,5-6,13H2,(H3,26,27,28,29,30,31);1-2,6-11,14,16H,3-5,12H2,(H3,25,26,27,28,29,30);7-10,13-14,17H,2-6,11H2,1H3,(H3,24,25,26,27,28,29);6-11,13,16H,2-5,12H2,1H3,(H3,22,23,24,25,26,27);6-10,12,14,16,28H,1-5,11,13H2,(H3,22,23,24,25,26,27)
InChIKeyMCYJPILNDAJYJT-UHFFFAOYSA-N
XLogP24.59
TPSA501.27 Ų
H-Bond Donors16
H-Bond Acceptors30
Rotatable Bonds32
Heavy Atoms146
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001947.40
LogP ≤ 524.59
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1030

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]-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 with MolForge

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Launch Full Analysis

Related Compounds

2-[2-methyl-4-[[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]amino]phenyl]acetic acid;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-N-phenyl-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(1H-pyrazol-5-yl)quinazolin-4-amine
CID 91562957
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]acetonitrile;1-[4-[[4-[(5-cyclohexyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]propan-2-one;2-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]phenyl]acetonitrile;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 157853038
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

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]-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?
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]-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) 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]-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.
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]-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?
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]-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 is CC(=O)Cc1ccc(Nc2nccc(Nc3cc(C4CCCC4)[nH]n3)n2)cc1.Cc1cc(Nc2cc(C3CCCCC3)[nH]n2)nc(Nc2ccc(CC#N)cc2)n1.N#CCc1ccc(Nc2nc(Nc3cc(C4CCC4)[nH]n3)c3ccccc3n2)cc1.N#CCc1ccc(Nc2nc(Nc3cc(C4CCCC4)[nH]n3)c3ccccc3n2)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]-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?
The InChIKey is MCYJPILNDAJYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7.C23H21N7.C22H25N7.C21H24N6O.C21H26N6O/c25-14-13-16-9-11-18(12-10-16)26-24-27-20-8-4-3-7-19(20)23(29-24)28-22-15-21(30-31-22)17-5-1-2-6-17;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;1-15-13-20(26-21-14-19(28-29-21)17-5-3-2-4-6-17)27-22(24-15)25-18-9-7-16(8-10-18)11-12-23;1-14(28)12-15-6-8-17(9-7-15)23-21-22-11-10-19(25-21)24-20-13-18(26-27-20)16-4-2-3-5-16;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/h3-4,7-12,15,17H,1-2,5-6,13H2,(H3,26,27,28,29,30,31);1-2,6-11,14,16H,3-5,12H2,(H3,25,26,27,28,29,30);7-10,13-14,17H,2-6,11H2,1H3,(H3,24,25,26,27,28,29);6-11,13,16H,2-5,12H2,1H3,(H3,22,23,24,25,26,27);6-10,12,14,16,28H,1-5,11,13H2,(H3,22,23,24,25,26,27).
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]-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?
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 has a molecular weight of 1947.40 g/mol, XLogP of 24.59, 32 rotatable bonds, 16 hydrogen bond donors, and 30 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]-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 is sourced from PubChem (CID 159530647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).