7'-cyclopentyl-2'-[2-methyl-4-(4-methylcyclohexyl)sulfonylanilino]spiro[cyclopropane-1,5'-pyrrolo[2,3-d]pyrimidine]-6'-one

C27H34N4O3S — CID 170952776

IUPAC7'-cyclopentyl-2'-[2-methyl-4-(4-methylcyclohexyl)sulfonylanilino]spiro[cyclopropane-1,5'-pyrrolo[2,3-d]pyrimidine]-6'-one
SMILESCc1cc(S(=O)(=O)C2CCC(C)CC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)C(=O)C21CC1
InChIInChI=1S/C27H34N4O3S/c1-17-7-9-20(10-8-17)35(33,34)21-11-12-23(18(2)15-21)29-26-28-16-22-24(30-26)31(19-5-3-4-6-19)25(32)27(22)13-14-27/h11-12,15-17,19-20H,3-10,13-14H2,1-2H3,(H,28,29,30)
InChIKeySVFBPSSURBKJHT-UHFFFAOYSA-N
MW494.66 g/mol
LogP5.20
Rot. Bonds5

About 7'-cyclopentyl-2'-[2-methyl-4-(4-methylcyclohexyl)sulfonylanilino]spiro[cyclopropane-1,5'-pyrrolo[2,3-d]pyrimidine]-6'-one

7'-cyclopentyl-2'-[2-methyl-4-(4-methylcyclohexyl)sulfonylanilino]spiro[cyclopropane-1,5'-pyrrolo[2,3-d]pyrimidine]-6'-one (PubChem CID 170952776) has the molecular formula C27H34N4O3S and a molecular weight of 494.66 g/mol. Its IUPAC name is 7'-cyclopentyl-2'-[2-methyl-4-(4-methylcyclohexyl)sulfonylanilino]spiro[cyclopropane-1,5'-pyrrolo[2,3-d]pyrimidine]-6'-one.

Molecular Properties

Compound Name7'-cyclopentyl-2'-[2-methyl-4-(4-methylcyclohexyl)sulfonylanilino]spiro[cyclopropane-1,5'-pyrrolo[2,3-d]pyrimidine]-6'-one
PubChem CID170952776
Molecular FormulaC27H34N4O3S
Molecular Weight494.66 g/mol
Exact Mass494.24
IUPAC Name7'-cyclopentyl-2'-[2-methyl-4-(4-methylcyclohexyl)sulfonylanilino]spiro[cyclopropane-1,5'-pyrrolo[2,3-d]pyrimidine]-6'-one
SMILESCc1cc(S(=O)(=O)C2CCC(C)CC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)C(=O)C21CC1
InChIInChI=1S/C27H34N4O3S/c1-17-7-9-20(10-8-17)35(33,34)21-11-12-23(18(2)15-21)29-26-28-16-22-24(30-26)31(19-5-3-4-6-19)25(32)27(22)13-14-27/h11-12,15-17,19-20H,3-10,13-14H2,1-2H3,(H,28,29,30)
InChIKeySVFBPSSURBKJHT-UHFFFAOYSA-N
XLogP5.20
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.66
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7'-cyclopentyl-2'-[2-methyl-4-(4-methylcyclohexyl)sulfonylanilino]spiro[cyclopropane-1,5'-pyrrolo[2,3-d]pyrimidine]-6'-one with MolForge

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Related Compounds

4-[(7'-cyclopentyl-6'-oxospiro[cyclopropane-1,5'-pyrrolo[2,3-d]pyrimidine]-2'-yl)amino]-3-methyl-N-propan-2-ylbenzenesulfonamide
CID 170953682
7-cyclopentyl-5-(methoxymethyl)-5-methyl-2-[2-methyl-4-[(7-methyl-7-azaspiro[3.5]nonan-2-yl)sulfonyl]anilino]pyrrolo[2,3-d]pyrimidin-6-one
CID 171598972
7'-cyclopentyl-2'-[2-methyl-4-(1-methylpiperidin-4-yl)sulfinylanilino]spiro[cyclopropane-1,5'-pyrrolo[2,3-d]pyrimidine]-6'-one;ethane
CID 170952535
7'-(3-hydroxycyclohexyl)-2'-[2-methyl-4-(propan-2-ylamino)sulfanylanilino]spiro[cyclopropane-1,5'-pyrrolo[2,3-d]pyrimidine]-6'-one
CID 170951782
7'-cyclopentyl-2'-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]spiro[cyclopropane-1,5'-pyrrolo[2,3-d]pyrimidine]-6'-one
CID 154684474
4-[(7'-cyclopentyl-6'-oxospiro[cyclopropane-1,5'-pyrrolo[2,3-d]pyrimidine]-2'-yl)amino]-N-[2-[2-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]propoxy]ethoxy]ethyl]-3-methylbenzenesulfonamide
CID 166117930
8-cyclopentyl-6-(difluoromethyl)-2-[2-methyl-4-[(7-propan-2-yl-7-azaspiro[3.5]nonan-2-yl)sulfonyl]anilino]pyrido[2,3-d]pyrimidin-7-one
CID 171598812
2'-[(7-methylquinoxalin-6-yl)amino]-7'-(thiolan-3-yl)spiro[cyclopropane-1,5'-pyrrolo[2,3-d]pyrimidine]-6'-one
CID 176918875
7'-[(3R)-3-hydroxy-3-methylcyclohexyl]-2'-[4-[(7-propan-2-yl-7-azaspiro[3.5]nonan-2-yl)sulfonyl]anilino]spiro[cyclopropane-1,5'-pyrrolo[2,3-d]pyrimidine]-6'-one
CID 171598897
8-cyclopentyl-2-[2-methyl-4-[(7-methyl-7-azaspiro[3.5]nonan-2-yl)sulfonyl]anilino]pyrido[2,3-d]pyrimidin-7-one
CID 171599021
7'-[(3R)-3-hydroxycyclohexyl]-2'-[4-[(7-prop-1-en-2-yl-7-azaspiro[3.5]nonan-2-yl)sulfonyl]anilino]spiro[cyclopropane-1,5'-pyrrolo[2,3-d]pyrimidine]-6'-one
CID 170953923
4-[(7'-cyclopentyl-6'-oxospiro[cyclopropane-1,5'-pyrrolo[2,3-d]pyrimidine]-2'-yl)amino]-3-methyl-N-[2-[4-[[4-[3-methyl-2-oxo-1-(6-oxopiperidin-3-yl)benzimidazol-5-yl]piperidin-1-yl]methyl]cyclohexyl]oxyethyl]benzenesulfonamide
CID 166118472

Frequently Asked Questions

What is the IUPAC name of 7'-cyclopentyl-2'-[2-methyl-4-(4-methylcyclohexyl)sulfonylanilino]spiro[cyclopropane-1,5'-pyrrolo[2,3-d]pyrimidine]-6'-one?
The IUPAC name of 7'-cyclopentyl-2'-[2-methyl-4-(4-methylcyclohexyl)sulfonylanilino]spiro[cyclopropane-1,5'-pyrrolo[2,3-d]pyrimidine]-6'-one (CID 170952776) is 7'-cyclopentyl-2'-[2-methyl-4-(4-methylcyclohexyl)sulfonylanilino]spiro[cyclopropane-1,5'-pyrrolo[2,3-d]pyrimidine]-6'-one.
What is the SMILES notation for 7'-cyclopentyl-2'-[2-methyl-4-(4-methylcyclohexyl)sulfonylanilino]spiro[cyclopropane-1,5'-pyrrolo[2,3-d]pyrimidine]-6'-one?
The canonical SMILES for 7'-cyclopentyl-2'-[2-methyl-4-(4-methylcyclohexyl)sulfonylanilino]spiro[cyclopropane-1,5'-pyrrolo[2,3-d]pyrimidine]-6'-one is Cc1cc(S(=O)(=O)C2CCC(C)CC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)C(=O)C21CC1.
What is the InChIKey of 7'-cyclopentyl-2'-[2-methyl-4-(4-methylcyclohexyl)sulfonylanilino]spiro[cyclopropane-1,5'-pyrrolo[2,3-d]pyrimidine]-6'-one?
The InChIKey is SVFBPSSURBKJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O3S/c1-17-7-9-20(10-8-17)35(33,34)21-11-12-23(18(2)15-21)29-26-28-16-22-24(30-26)31(19-5-3-4-6-19)25(32)27(22)13-14-27/h11-12,15-17,19-20H,3-10,13-14H2,1-2H3,(H,28,29,30).
What are the key properties of 7'-cyclopentyl-2'-[2-methyl-4-(4-methylcyclohexyl)sulfonylanilino]spiro[cyclopropane-1,5'-pyrrolo[2,3-d]pyrimidine]-6'-one?
7'-cyclopentyl-2'-[2-methyl-4-(4-methylcyclohexyl)sulfonylanilino]spiro[cyclopropane-1,5'-pyrrolo[2,3-d]pyrimidine]-6'-one has a molecular weight of 494.66 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7'-cyclopentyl-2'-[2-methyl-4-(4-methylcyclohexyl)sulfonylanilino]spiro[cyclopropane-1,5'-pyrrolo[2,3-d]pyrimidine]-6'-one is sourced from PubChem (CID 170952776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).