1-[3-cyclopropyl-5-[[2-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-hydroxypyrimidin-4-yl]amino]pyrazol-1-yl]ethanone;4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[3-(2,2-dimethylpropylsulfonyl)phenyl]pyrimidin-5-ol;3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-hydroxypyrimidin-2-yl]benzenesulfonamide;dihydrochloride

C60H70Cl2N16O10S3 — CID 159226101

IUPAC1-[3-cyclopropyl-5-[[2-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-hydroxypyrimidin-4-yl]amino]pyrazol-1-yl]ethanone;4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[3-(2,2-dimethylpropylsulfonyl)phenyl]pyrimidin-5-ol;3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-hydroxypyrimidin-2-yl]benzenesulfonamide;dihydrochloride
SMILESCC(=O)n1nc(C2CC2)cc1Nc1nc(-c2cccc(S(=O)(=O)CC(C)(C)C)c2)ncc1O.CC(C)(C)CS(=O)(=O)c1cccc(-c2ncc(O)c(Nc3cc(C4CC4)[nH]n3)n2)c1.Cl.Cl.NS(=O)(=O)c1cccc(-c2ncc(O)c(Nc3cc(C4CC4)[nH]n3)n2)c1
InChIInChI=1S/C23H27N5O4S.C21H25N5O3S.C16H16N6O3S.2ClH/c1-14(29)28-20(11-18(27-28)15-8-9-15)25-22-19(30)12-24-21(26-22)16-6-5-7-17(10-16)33(31,32)13-23(2,3)4;1-21(2,3)12-30(28,29)15-6-4-5-14(9-15)19-22-11-17(27)20(24-19)23-18-10-16(25-26-18)13-7-8-13;17-26(24,25)11-3-1-2-10(6-11)15-18-8-13(23)16(20-15)19-14-7-12(21-22-14)9-4-5-9;;/h5-7,10-12,15,30H,8-9,13H2,1-4H3,(H,24,25,26);4-6,9-11,13,27H,7-8,12H2,1-3H3,(H2,22,23,24,25,26);1-3,6-9,23H,4-5H2,(H2,17,24,25)(H2,18,19,20,21,22);2*1H
InChIKeyOHQAYKGXOOUGKJ-UHFFFAOYSA-N
MW1342.43 g/mol
LogP10.84
Rot. Bonds17

About 1-[3-cyclopropyl-5-[[2-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-hydroxypyrimidin-4-yl]amino]pyrazol-1-yl]ethanone;4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[3-(2,2-dimethylpropylsulfonyl)phenyl]pyrimidin-5-ol;3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-hydroxypyrimidin-2-yl]benzenesulfonamide;dihydrochloride

1-[3-cyclopropyl-5-[[2-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-hydroxypyrimidin-4-yl]amino]pyrazol-1-yl]ethanone;4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[3-(2,2-dimethylpropylsulfonyl)phenyl]pyrimidin-5-ol;3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-hydroxypyrimidin-2-yl]benzenesulfonamide;dihydrochloride (PubChem CID 159226101) has the molecular formula C60H70Cl2N16O10S3 and a molecular weight of 1342.43 g/mol. Its IUPAC name is 1-[3-cyclopropyl-5-[[2-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-hydroxypyrimidin-4-yl]amino]pyrazol-1-yl]ethanone;4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[3-(2,2-dimethylpropylsulfonyl)phenyl]pyrimidin-5-ol;3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-hydroxypyrimidin-2-yl]benzenesulfonamide;dihydrochloride.

Molecular Properties

Compound Name1-[3-cyclopropyl-5-[[2-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-hydroxypyrimidin-4-yl]amino]pyrazol-1-yl]ethanone;4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[3-(2,2-dimethylpropylsulfonyl)phenyl]pyrimidin-5-ol;3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-hydroxypyrimidin-2-yl]benzenesulfonamide;dihydrochloride
PubChem CID159226101
Molecular FormulaC60H70Cl2N16O10S3
Molecular Weight1342.43 g/mol
Exact Mass1340.40
IUPAC Name1-[3-cyclopropyl-5-[[2-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-hydroxypyrimidin-4-yl]amino]pyrazol-1-yl]ethanone;4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[3-(2,2-dimethylpropylsulfonyl)phenyl]pyrimidin-5-ol;3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-hydroxypyrimidin-2-yl]benzenesulfonamide;dihydrochloride
SMILESCC(=O)n1nc(C2CC2)cc1Nc1nc(-c2cccc(S(=O)(=O)CC(C)(C)C)c2)ncc1O.CC(C)(C)CS(=O)(=O)c1cccc(-c2ncc(O)c(Nc3cc(C4CC4)[nH]n3)n2)c1.Cl.Cl.NS(=O)(=O)c1cccc(-c2ncc(O)c(Nc3cc(C4CC4)[nH]n3)n2)c1
InChIInChI=1S/C23H27N5O4S.C21H25N5O3S.C16H16N6O3S.2ClH/c1-14(29)28-20(11-18(27-28)15-8-9-15)25-22-19(30)12-24-21(26-22)16-6-5-7-17(10-16)33(31,32)13-23(2,3)4;1-21(2,3)12-30(28,29)15-6-4-5-14(9-15)19-22-11-17(27)20(24-19)23-18-10-16(25-26-18)13-7-8-13;17-26(24,25)11-3-1-2-10(6-11)15-18-8-13(23)16(20-15)19-14-7-12(21-22-14)9-4-5-9;;/h5-7,10-12,15,30H,8-9,13H2,1-4H3,(H,24,25,26);4-6,9-11,13,27H,7-8,12H2,1-3H3,(H2,22,23,24,25,26);1-3,6-9,23H,4-5H2,(H2,17,24,25)(H2,18,19,20,21,22);2*1H
InChIKeyOHQAYKGXOOUGKJ-UHFFFAOYSA-N
XLogP10.84
TPSA394.81 Ų
H-Bond Donors9
H-Bond Acceptors23
Rotatable Bonds17
Heavy Atoms91
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001342.43
LogP ≤ 510.84
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1023

Analyze 1-[3-cyclopropyl-5-[[2-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-hydroxypyrimidin-4-yl]amino]pyrazol-1-yl]ethanone;4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[3-(2,2-dimethylpropylsulfonyl)phenyl]pyrimidin-5-ol;3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-hydroxypyrimidin-2-yl]benzenesulfonamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-cyclopropyl-5-[[2-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-hydroxypyrimidin-4-yl]amino]pyrazol-1-yl]ethanone;4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[3-(2,2-dimethylpropylsulfonyl)phenyl]pyrimidin-5-ol;3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-hydroxypyrimidin-2-yl]benzenesulfonamide;dihydrochloride?
The IUPAC name of 1-[3-cyclopropyl-5-[[2-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-hydroxypyrimidin-4-yl]amino]pyrazol-1-yl]ethanone;4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[3-(2,2-dimethylpropylsulfonyl)phenyl]pyrimidin-5-ol;3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-hydroxypyrimidin-2-yl]benzenesulfonamide;dihydrochloride (CID 159226101) is 1-[3-cyclopropyl-5-[[2-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-hydroxypyrimidin-4-yl]amino]pyrazol-1-yl]ethanone;4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[3-(2,2-dimethylpropylsulfonyl)phenyl]pyrimidin-5-ol;3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-hydroxypyrimidin-2-yl]benzenesulfonamide;dihydrochloride.
What is the SMILES notation for 1-[3-cyclopropyl-5-[[2-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-hydroxypyrimidin-4-yl]amino]pyrazol-1-yl]ethanone;4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[3-(2,2-dimethylpropylsulfonyl)phenyl]pyrimidin-5-ol;3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-hydroxypyrimidin-2-yl]benzenesulfonamide;dihydrochloride?
The canonical SMILES for 1-[3-cyclopropyl-5-[[2-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-hydroxypyrimidin-4-yl]amino]pyrazol-1-yl]ethanone;4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[3-(2,2-dimethylpropylsulfonyl)phenyl]pyrimidin-5-ol;3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-hydroxypyrimidin-2-yl]benzenesulfonamide;dihydrochloride is CC(=O)n1nc(C2CC2)cc1Nc1nc(-c2cccc(S(=O)(=O)CC(C)(C)C)c2)ncc1O.CC(C)(C)CS(=O)(=O)c1cccc(-c2ncc(O)c(Nc3cc(C4CC4)[nH]n3)n2)c1.Cl.Cl.NS(=O)(=O)c1cccc(-c2ncc(O)c(Nc3cc(C4CC4)[nH]n3)n2)c1.
What is the InChIKey of 1-[3-cyclopropyl-5-[[2-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-hydroxypyrimidin-4-yl]amino]pyrazol-1-yl]ethanone;4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[3-(2,2-dimethylpropylsulfonyl)phenyl]pyrimidin-5-ol;3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-hydroxypyrimidin-2-yl]benzenesulfonamide;dihydrochloride?
The InChIKey is OHQAYKGXOOUGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O4S.C21H25N5O3S.C16H16N6O3S.2ClH/c1-14(29)28-20(11-18(27-28)15-8-9-15)25-22-19(30)12-24-21(26-22)16-6-5-7-17(10-16)33(31,32)13-23(2,3)4;1-21(2,3)12-30(28,29)15-6-4-5-14(9-15)19-22-11-17(27)20(24-19)23-18-10-16(25-26-18)13-7-8-13;17-26(24,25)11-3-1-2-10(6-11)15-18-8-13(23)16(20-15)19-14-7-12(21-22-14)9-4-5-9;;/h5-7,10-12,15,30H,8-9,13H2,1-4H3,(H,24,25,26);4-6,9-11,13,27H,7-8,12H2,1-3H3,(H2,22,23,24,25,26);1-3,6-9,23H,4-5H2,(H2,17,24,25)(H2,18,19,20,21,22);2*1H.
What are the key properties of 1-[3-cyclopropyl-5-[[2-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-hydroxypyrimidin-4-yl]amino]pyrazol-1-yl]ethanone;4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[3-(2,2-dimethylpropylsulfonyl)phenyl]pyrimidin-5-ol;3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-hydroxypyrimidin-2-yl]benzenesulfonamide;dihydrochloride?
1-[3-cyclopropyl-5-[[2-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-hydroxypyrimidin-4-yl]amino]pyrazol-1-yl]ethanone;4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[3-(2,2-dimethylpropylsulfonyl)phenyl]pyrimidin-5-ol;3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-hydroxypyrimidin-2-yl]benzenesulfonamide;dihydrochloride has a molecular weight of 1342.43 g/mol, XLogP of 10.84, 17 rotatable bonds, 9 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-cyclopropyl-5-[[2-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-hydroxypyrimidin-4-yl]amino]pyrazol-1-yl]ethanone;4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[3-(2,2-dimethylpropylsulfonyl)phenyl]pyrimidin-5-ol;3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-hydroxypyrimidin-2-yl]benzenesulfonamide;dihydrochloride is sourced from PubChem (CID 159226101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).