2-[4-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]acetonitrile;2-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]acetonitrile;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-(4-methylsulfonylphenyl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-methylsulfonylphenyl)pyrimidin-4-amine;molecular hydrogen

C70H76ClFN22O4S2 — CID 157392737

IUPAC2-[4-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]acetonitrile;2-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]acetonitrile;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-(4-methylsulfonylphenyl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-methylsulfonylphenyl)pyrimidin-4-amine;molecular hydrogen
SMILESCS(=O)(=O)c1ccc(-c2ncc(F)c(Nc3cc(C4CC4)[nH]n3)n2)cc1.CS(=O)(=O)c1ccc(-c2nccc(Nc3cc(C4CC4)[nH]n3)n2)cc1.N#CCc1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)cc1.N#CCc1ccc(-c2nccc(Nc3cc(C4CC4)[nH]n3)n2)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C18H15ClN6.C18H16N6.C17H16FN5O2S.C17H17N5O2S.6H2/c19-14-10-21-17(13-3-1-11(2-4-13)7-8-20)23-18(14)22-16-9-15(24-25-16)12-5-6-12;19-9-7-12-1-3-14(4-2-12)18-20-10-8-16(22-18)21-17-11-15(23-24-17)13-5-6-13;1-26(24,25)12-6-4-11(5-7-12)16-19-9-13(18)17(21-16)20-15-8-14(22-23-15)10-2-3-10;1-25(23,24)13-6-4-12(5-7-13)17-18-9-8-15(20-17)19-16-10-14(21-22-16)11-2-3-11;;;;;;/h1-4,9-10,12H,5-7H2,(H2,21,22,23,24,25);1-4,8,10-11,13H,5-7H2,(H2,20,21,22,23,24);4-10H,2-3H2,1H3,(H2,19,20,21,22,23);4-11H,2-3H2,1H3,(H2,18,19,20,21,22);6*1H
InChIKeyBMEURRABPWYJGO-UHFFFAOYSA-N
MW1408.11 g/mol
LogP15.16
Rot. Bonds20

About 2-[4-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]acetonitrile;2-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]acetonitrile;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-(4-methylsulfonylphenyl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-methylsulfonylphenyl)pyrimidin-4-amine;molecular hydrogen

2-[4-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]acetonitrile;2-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]acetonitrile;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-(4-methylsulfonylphenyl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-methylsulfonylphenyl)pyrimidin-4-amine;molecular hydrogen (PubChem CID 157392737) has the molecular formula C70H76ClFN22O4S2 and a molecular weight of 1408.11 g/mol. Its IUPAC name is 2-[4-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]acetonitrile;2-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]acetonitrile;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-(4-methylsulfonylphenyl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-methylsulfonylphenyl)pyrimidin-4-amine;molecular hydrogen.

Molecular Properties

Compound Name2-[4-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]acetonitrile;2-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]acetonitrile;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-(4-methylsulfonylphenyl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-methylsulfonylphenyl)pyrimidin-4-amine;molecular hydrogen
PubChem CID157392737
Molecular FormulaC70H76ClFN22O4S2
Molecular Weight1408.11 g/mol
Exact Mass1406.55
IUPAC Name2-[4-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]acetonitrile;2-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]acetonitrile;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-(4-methylsulfonylphenyl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-methylsulfonylphenyl)pyrimidin-4-amine;molecular hydrogen
SMILESCS(=O)(=O)c1ccc(-c2ncc(F)c(Nc3cc(C4CC4)[nH]n3)n2)cc1.CS(=O)(=O)c1ccc(-c2nccc(Nc3cc(C4CC4)[nH]n3)n2)cc1.N#CCc1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)cc1.N#CCc1ccc(-c2nccc(Nc3cc(C4CC4)[nH]n3)n2)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C18H15ClN6.C18H16N6.C17H16FN5O2S.C17H17N5O2S.6H2/c19-14-10-21-17(13-3-1-11(2-4-13)7-8-20)23-18(14)22-16-9-15(24-25-16)12-5-6-12;19-9-7-12-1-3-14(4-2-12)18-20-10-8-16(22-18)21-17-11-15(23-24-17)13-5-6-13;1-26(24,25)12-6-4-11(5-7-12)16-19-9-13(18)17(21-16)20-15-8-14(22-23-15)10-2-3-10;1-25(23,24)13-6-4-12(5-7-13)17-18-9-8-15(20-17)19-16-10-14(21-22-16)11-2-3-11;;;;;;/h1-4,9-10,12H,5-7H2,(H2,21,22,23,24,25);1-4,8,10-11,13H,5-7H2,(H2,20,21,22,23,24);4-10H,2-3H2,1H3,(H2,19,20,21,22,23);4-11H,2-3H2,1H3,(H2,18,19,20,21,22);6*1H
InChIKeyBMEURRABPWYJGO-UHFFFAOYSA-N
XLogP15.16
TPSA381.82 Ų
H-Bond Donors8
H-Bond Acceptors22
Rotatable Bonds20
Heavy Atoms100
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001408.11
LogP ≤ 515.16
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1022

Analyze 2-[4-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]acetonitrile;2-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]acetonitrile;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-(4-methylsulfonylphenyl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-methylsulfonylphenyl)pyrimidin-4-amine;molecular hydrogen with MolForge

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Related Compounds

5-[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-5-chloropyrimidin-2-yl]thiophene-2-sulfonamide;5-[5-chloro-4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;2-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]-2-methylpropanenitrile;2-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]-2-methylpropanenitrile;molecular hydrogen
CID 157164958
5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]-N-methylthiophene-2-sulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethyl-2-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethyl-2-piperidin-1-ylpyrimidin-4-amine;molecular hydrogen
CID 157254731
N-tert-butyl-5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-sulfonamide;N-tert-butyl-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-sulfonamide;molecular hydrogen
CID 157840674
5-chloro-2-N-[2,5-dimethyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2,5-dimethyl-4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[4-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[4-[1-(1,1-dioxothiolan-3-yl)piperidin-4-yl]-2-fluoro-5-methylphenyl]methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 159022139
N-(2-aminoethyl)-3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzenesulfonamide;2-[5-(aminomethyl)thiophen-2-yl]-5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-cyclopropylthiophene-2-sulfonamide;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carbonitrile;molecular hydrogen
CID 159169021
2-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-methylsulfonylphenyl)pyrimidin-4-amine;(4-methylsulfonylphenyl)boronic acid
CID 159459470
2-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]propanenitrile;5-[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;5-[5-chloro-4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;2-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]propanenitrile;molecular hydrogen
CID 159522536
3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzenesulfonamide;5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-thiophen-2-ylpyrimidin-4-amine;3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]benzenesulfonamide;3-[4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]pyrimidin-2-yl]benzenesulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-thiophen-2-ylpyrimidin-4-amine;molecular hydrogen
CID 159712960
5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-methylthiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophene-2-sulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-thiophen-2-ylpyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[(E)-3-methoxyprop-1-enyl]-2-phenylpyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-2-thiophen-2-ylpyrimidin-4-amine;molecular hydrogen
CID 159837175
CID 159842632
CID 159842632
5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]-N-methylthiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophene-2-sulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-thiophen-2-ylpyrimidin-4-amine
CID 160316015
[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]methanol;5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-methylsulfonylphenyl)pyrimidin-4-amine;[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]thiophen-2-yl]methanol;2-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]phenyl]acetonitrile;molecular hydrogen
CID 160463732

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]acetonitrile;2-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]acetonitrile;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-(4-methylsulfonylphenyl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-methylsulfonylphenyl)pyrimidin-4-amine;molecular hydrogen?
The IUPAC name of 2-[4-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]acetonitrile;2-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]acetonitrile;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-(4-methylsulfonylphenyl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-methylsulfonylphenyl)pyrimidin-4-amine;molecular hydrogen (CID 157392737) is 2-[4-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]acetonitrile;2-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]acetonitrile;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-(4-methylsulfonylphenyl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-methylsulfonylphenyl)pyrimidin-4-amine;molecular hydrogen.
What is the SMILES notation for 2-[4-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]acetonitrile;2-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]acetonitrile;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-(4-methylsulfonylphenyl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-methylsulfonylphenyl)pyrimidin-4-amine;molecular hydrogen?
The canonical SMILES for 2-[4-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]acetonitrile;2-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]acetonitrile;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-(4-methylsulfonylphenyl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-methylsulfonylphenyl)pyrimidin-4-amine;molecular hydrogen is CS(=O)(=O)c1ccc(-c2ncc(F)c(Nc3cc(C4CC4)[nH]n3)n2)cc1.CS(=O)(=O)c1ccc(-c2nccc(Nc3cc(C4CC4)[nH]n3)n2)cc1.N#CCc1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)cc1.N#CCc1ccc(-c2nccc(Nc3cc(C4CC4)[nH]n3)n2)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 2-[4-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]acetonitrile;2-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]acetonitrile;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-(4-methylsulfonylphenyl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-methylsulfonylphenyl)pyrimidin-4-amine;molecular hydrogen?
The InChIKey is BMEURRABPWYJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN6.C18H16N6.C17H16FN5O2S.C17H17N5O2S.6H2/c19-14-10-21-17(13-3-1-11(2-4-13)7-8-20)23-18(14)22-16-9-15(24-25-16)12-5-6-12;19-9-7-12-1-3-14(4-2-12)18-20-10-8-16(22-18)21-17-11-15(23-24-17)13-5-6-13;1-26(24,25)12-6-4-11(5-7-12)16-19-9-13(18)17(21-16)20-15-8-14(22-23-15)10-2-3-10;1-25(23,24)13-6-4-12(5-7-13)17-18-9-8-15(20-17)19-16-10-14(21-22-16)11-2-3-11;;;;;;/h1-4,9-10,12H,5-7H2,(H2,21,22,23,24,25);1-4,8,10-11,13H,5-7H2,(H2,20,21,22,23,24);4-10H,2-3H2,1H3,(H2,19,20,21,22,23);4-11H,2-3H2,1H3,(H2,18,19,20,21,22);6*1H.
What are the key properties of 2-[4-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]acetonitrile;2-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]acetonitrile;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-(4-methylsulfonylphenyl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-methylsulfonylphenyl)pyrimidin-4-amine;molecular hydrogen?
2-[4-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]acetonitrile;2-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]acetonitrile;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-(4-methylsulfonylphenyl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-methylsulfonylphenyl)pyrimidin-4-amine;molecular hydrogen has a molecular weight of 1408.11 g/mol, XLogP of 15.16, 20 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]acetonitrile;2-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]acetonitrile;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-(4-methylsulfonylphenyl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-methylsulfonylphenyl)pyrimidin-4-amine;molecular hydrogen is sourced from PubChem (CID 157392737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).