2-[4-[4-chloro-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-1-cyclopropylethanone;1-cyclopropyl-2-[4-[4-(4-hydroxypiperidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-piperazin-1-ylpyrimidin-2-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-2-yl]sulfanylphenyl]ethanone

C117H134ClN31O7S5 — CID 158782133

IUPAC2-[4-[4-chloro-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-1-cyclopropylethanone;1-cyclopropyl-2-[4-[4-(4-hydroxypiperidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-piperazin-1-ylpyrimidin-2-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-2-yl]sulfanylphenyl]ethanone
SMILESCc1cc(Nc2cc(Cl)nc(Sc3ccc(CC(=O)C4CC4)cc3)n2)n[nH]1.Cc1cc(Nc2cc(N3CCC(N4CCCC4)CC3)nc(Sc3ccc(CC(=O)C4CC4)cc3)n2)n[nH]1.Cc1cc(Nc2cc(N3CCC(O)CC3)nc(Sc3ccc(CC(=O)C4CC4)cc3)n2)n[nH]1.Cc1cc(Nc2cc(N3CCNCC3)nc(Sc3ccc(CC(=O)C4CC4)cc3)n2)n[nH]1.Cc1cc(Nc2cc(N3CCOCC3)nc(Sc3ccc(CC(=O)C4CC4)cc3)n2)n[nH]1
InChIInChI=1S/C28H35N7OS.C24H28N6O2S.C23H27N7OS.C23H26N6O2S.C19H18ClN5OS/c1-19-16-26(33-32-19)29-25-18-27(35-14-10-22(11-15-35)34-12-2-3-13-34)31-28(30-25)37-23-8-4-20(5-9-23)17-24(36)21-6-7-21;1-15-12-22(29-28-15)25-21-14-23(30-10-8-18(31)9-11-30)27-24(26-21)33-19-6-2-16(3-7-19)13-20(32)17-4-5-17;1-15-12-21(29-28-15)25-20-14-22(30-10-8-24-9-11-30)27-23(26-20)32-18-6-2-16(3-7-18)13-19(31)17-4-5-17;1-15-12-21(28-27-15)24-20-14-22(29-8-10-31-11-9-29)26-23(25-20)32-18-6-2-16(3-7-18)13-19(30)17-4-5-17;1-11-8-18(25-24-11)22-17-10-16(20)21-19(23-17)27-14-6-2-12(3-7-14)9-15(26)13-4-5-13/h4-5,8-9,16,18,21-22H,2-3,6-7,10-15,17H2,1H3,(H2,29,30,31,32,33);2-3,6-7,12,14,17-18,31H,4-5,8-11,13H2,1H3,(H2,25,26,27,28,29);2-3,6-7,12,14,17,24H,4-5,8-11,13H2,1H3,(H2,25,26,27,28,29);2-3,6-7,12,14,17H,4-5,8-11,13H2,1H3,(H2,24,25,26,27,28);2-3,6-8,10,13H,4-5,9H2,1H3,(H2,21,22,23,24,25)
InChIKeyIRFDGQASCXQUJB-UHFFFAOYSA-N
MW2282.36 g/mol
LogP20.55
Rot. Bonds40

About 2-[4-[4-chloro-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-1-cyclopropylethanone;1-cyclopropyl-2-[4-[4-(4-hydroxypiperidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-piperazin-1-ylpyrimidin-2-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-2-yl]sulfanylphenyl]ethanone

2-[4-[4-chloro-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-1-cyclopropylethanone;1-cyclopropyl-2-[4-[4-(4-hydroxypiperidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-piperazin-1-ylpyrimidin-2-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-2-yl]sulfanylphenyl]ethanone (PubChem CID 158782133) has the molecular formula C117H134ClN31O7S5 and a molecular weight of 2282.36 g/mol. Its IUPAC name is 2-[4-[4-chloro-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-1-cyclopropylethanone;1-cyclopropyl-2-[4-[4-(4-hydroxypiperidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-piperazin-1-ylpyrimidin-2-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-2-yl]sulfanylphenyl]ethanone.

Molecular Properties

Compound Name2-[4-[4-chloro-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-1-cyclopropylethanone;1-cyclopropyl-2-[4-[4-(4-hydroxypiperidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-piperazin-1-ylpyrimidin-2-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-2-yl]sulfanylphenyl]ethanone
PubChem CID158782133
Molecular FormulaC117H134ClN31O7S5
Molecular Weight2282.36 g/mol
Exact Mass2279.94
IUPAC Name2-[4-[4-chloro-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-1-cyclopropylethanone;1-cyclopropyl-2-[4-[4-(4-hydroxypiperidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-piperazin-1-ylpyrimidin-2-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-2-yl]sulfanylphenyl]ethanone
SMILESCc1cc(Nc2cc(Cl)nc(Sc3ccc(CC(=O)C4CC4)cc3)n2)n[nH]1.Cc1cc(Nc2cc(N3CCC(N4CCCC4)CC3)nc(Sc3ccc(CC(=O)C4CC4)cc3)n2)n[nH]1.Cc1cc(Nc2cc(N3CCC(O)CC3)nc(Sc3ccc(CC(=O)C4CC4)cc3)n2)n[nH]1.Cc1cc(Nc2cc(N3CCNCC3)nc(Sc3ccc(CC(=O)C4CC4)cc3)n2)n[nH]1.Cc1cc(Nc2cc(N3CCOCC3)nc(Sc3ccc(CC(=O)C4CC4)cc3)n2)n[nH]1
InChIInChI=1S/C28H35N7OS.C24H28N6O2S.C23H27N7OS.C23H26N6O2S.C19H18ClN5OS/c1-19-16-26(33-32-19)29-25-18-27(35-14-10-22(11-15-35)34-12-2-3-13-34)31-28(30-25)37-23-8-4-20(5-9-23)17-24(36)21-6-7-21;1-15-12-22(29-28-15)25-21-14-23(30-10-8-18(31)9-11-30)27-24(26-21)33-19-6-2-16(3-7-19)13-20(32)17-4-5-17;1-15-12-21(29-28-15)25-20-14-22(30-10-8-24-9-11-30)27-23(26-20)32-18-6-2-16(3-7-18)13-19(31)17-4-5-17;1-15-12-21(28-27-15)24-20-14-22(29-8-10-31-11-9-29)26-23(25-20)32-18-6-2-16(3-7-18)13-19(30)17-4-5-17;1-11-8-18(25-24-11)22-17-10-16(20)21-19(23-17)27-14-6-2-12(3-7-14)9-15(26)13-4-5-13/h4-5,8-9,16,18,21-22H,2-3,6-7,10-15,17H2,1H3,(H2,29,30,31,32,33);2-3,6-7,12,14,17-18,31H,4-5,8-11,13H2,1H3,(H2,25,26,27,28,29);2-3,6-7,12,14,17,24H,4-5,8-11,13H2,1H3,(H2,25,26,27,28,29);2-3,6-7,12,14,17H,4-5,8-11,13H2,1H3,(H2,24,25,26,27,28);2-3,6-8,10,13H,4-5,9H2,1H3,(H2,21,22,23,24,25)
InChIKeyIRFDGQASCXQUJB-UHFFFAOYSA-N
XLogP20.55
TPSA475.49 Ų
H-Bond Donors12
H-Bond Acceptors38
Rotatable Bonds40
Heavy Atoms161
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002282.36
LogP ≤ 520.55
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1038

Analyze 2-[4-[4-chloro-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-1-cyclopropylethanone;1-cyclopropyl-2-[4-[4-(4-hydroxypiperidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-piperazin-1-ylpyrimidin-2-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-2-yl]sulfanylphenyl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-chloro-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-1-cyclopropylethanone;1-cyclopropyl-2-[4-[4-(4-hydroxypiperidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-piperazin-1-ylpyrimidin-2-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-2-yl]sulfanylphenyl]ethanone?
The IUPAC name of 2-[4-[4-chloro-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-1-cyclopropylethanone;1-cyclopropyl-2-[4-[4-(4-hydroxypiperidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-piperazin-1-ylpyrimidin-2-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-2-yl]sulfanylphenyl]ethanone (CID 158782133) is 2-[4-[4-chloro-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-1-cyclopropylethanone;1-cyclopropyl-2-[4-[4-(4-hydroxypiperidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-piperazin-1-ylpyrimidin-2-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-2-yl]sulfanylphenyl]ethanone.
What is the SMILES notation for 2-[4-[4-chloro-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-1-cyclopropylethanone;1-cyclopropyl-2-[4-[4-(4-hydroxypiperidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-piperazin-1-ylpyrimidin-2-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-2-yl]sulfanylphenyl]ethanone?
The canonical SMILES for 2-[4-[4-chloro-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-1-cyclopropylethanone;1-cyclopropyl-2-[4-[4-(4-hydroxypiperidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-piperazin-1-ylpyrimidin-2-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-2-yl]sulfanylphenyl]ethanone is Cc1cc(Nc2cc(Cl)nc(Sc3ccc(CC(=O)C4CC4)cc3)n2)n[nH]1.Cc1cc(Nc2cc(N3CCC(N4CCCC4)CC3)nc(Sc3ccc(CC(=O)C4CC4)cc3)n2)n[nH]1.Cc1cc(Nc2cc(N3CCC(O)CC3)nc(Sc3ccc(CC(=O)C4CC4)cc3)n2)n[nH]1.Cc1cc(Nc2cc(N3CCNCC3)nc(Sc3ccc(CC(=O)C4CC4)cc3)n2)n[nH]1.Cc1cc(Nc2cc(N3CCOCC3)nc(Sc3ccc(CC(=O)C4CC4)cc3)n2)n[nH]1.
What is the InChIKey of 2-[4-[4-chloro-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-1-cyclopropylethanone;1-cyclopropyl-2-[4-[4-(4-hydroxypiperidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-piperazin-1-ylpyrimidin-2-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-2-yl]sulfanylphenyl]ethanone?
The InChIKey is IRFDGQASCXQUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N7OS.C24H28N6O2S.C23H27N7OS.C23H26N6O2S.C19H18ClN5OS/c1-19-16-26(33-32-19)29-25-18-27(35-14-10-22(11-15-35)34-12-2-3-13-34)31-28(30-25)37-23-8-4-20(5-9-23)17-24(36)21-6-7-21;1-15-12-22(29-28-15)25-21-14-23(30-10-8-18(31)9-11-30)27-24(26-21)33-19-6-2-16(3-7-19)13-20(32)17-4-5-17;1-15-12-21(29-28-15)25-20-14-22(30-10-8-24-9-11-30)27-23(26-20)32-18-6-2-16(3-7-18)13-19(31)17-4-5-17;1-15-12-21(28-27-15)24-20-14-22(29-8-10-31-11-9-29)26-23(25-20)32-18-6-2-16(3-7-18)13-19(30)17-4-5-17;1-11-8-18(25-24-11)22-17-10-16(20)21-19(23-17)27-14-6-2-12(3-7-14)9-15(26)13-4-5-13/h4-5,8-9,16,18,21-22H,2-3,6-7,10-15,17H2,1H3,(H2,29,30,31,32,33);2-3,6-7,12,14,17-18,31H,4-5,8-11,13H2,1H3,(H2,25,26,27,28,29);2-3,6-7,12,14,17,24H,4-5,8-11,13H2,1H3,(H2,25,26,27,28,29);2-3,6-7,12,14,17H,4-5,8-11,13H2,1H3,(H2,24,25,26,27,28);2-3,6-8,10,13H,4-5,9H2,1H3,(H2,21,22,23,24,25).
What are the key properties of 2-[4-[4-chloro-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-1-cyclopropylethanone;1-cyclopropyl-2-[4-[4-(4-hydroxypiperidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-piperazin-1-ylpyrimidin-2-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-2-yl]sulfanylphenyl]ethanone?
2-[4-[4-chloro-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-1-cyclopropylethanone;1-cyclopropyl-2-[4-[4-(4-hydroxypiperidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-piperazin-1-ylpyrimidin-2-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-2-yl]sulfanylphenyl]ethanone has a molecular weight of 2282.36 g/mol, XLogP of 20.55, 40 rotatable bonds, 12 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-chloro-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-1-cyclopropylethanone;1-cyclopropyl-2-[4-[4-(4-hydroxypiperidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-piperazin-1-ylpyrimidin-2-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-2-yl]sulfanylphenyl]ethanone is sourced from PubChem (CID 158782133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).