4-[4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzenesulfonamide

C29H29N5O2S — CID 157206416

IUPAC4-[4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzenesulfonamide
SMILESCc1cc(C2CCN(c3ncnc4c3C=C(c3ccc(S(N)(=O)=O)cc3)C4)CC2)[nH]c1-c1ccccc1
InChIInChI=1S/C29H29N5O2S/c1-19-15-26(33-28(19)22-5-3-2-4-6-22)21-11-13-34(14-12-21)29-25-16-23(17-27(25)31-18-32-29)20-7-9-24(10-8-20)37(30,35)36/h2-10,15-16,18,21,33H,11-14,17H2,1H3,(H2,30,35,36)
InChIKeyLIFFXJCSGJUQSC-UHFFFAOYSA-N
MW511.65 g/mol
LogP4.91
Rot. Bonds5

About 4-[4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzenesulfonamide

4-[4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzenesulfonamide (PubChem CID 157206416) has the molecular formula C29H29N5O2S and a molecular weight of 511.65 g/mol. Its IUPAC name is 4-[4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzenesulfonamide
PubChem CID157206416
Molecular FormulaC29H29N5O2S
Molecular Weight511.65 g/mol
Exact Mass511.20
IUPAC Name4-[4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzenesulfonamide
SMILESCc1cc(C2CCN(c3ncnc4c3C=C(c3ccc(S(N)(=O)=O)cc3)C4)CC2)[nH]c1-c1ccccc1
InChIInChI=1S/C29H29N5O2S/c1-19-15-26(33-28(19)22-5-3-2-4-6-22)21-11-13-34(14-12-21)29-25-16-23(17-27(25)31-18-32-29)20-7-9-24(10-8-20)37(30,35)36/h2-10,15-16,18,21,33H,11-14,17H2,1H3,(H2,30,35,36)
InChIKeyLIFFXJCSGJUQSC-UHFFFAOYSA-N
XLogP4.91
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.65
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-6-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]-7H-cyclopenta[d]pyrimidine
CID 149389142
6-(1,3-dimethylpyrazol-4-yl)-4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidine
CID 158375747
6-(6-methoxy-3-pyridinyl)-4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidine
CID 159111041
6-[1-(difluoromethyl)pyrazol-4-yl]-4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidine
CID 147195829
4-[4-[4-[4-(3-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile
CID 159794772
6-(4-ethynylphenyl)-4-[4-[4-(3-methoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine
CID 160642561
4-[4-[4-[4-(3-methoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile
CID 157468204
4-[4-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(3-methoxyphenyl)-7H-cyclopenta[d]pyrimidine;6-(4-ethynylphenyl)-4-[4-[4-(4-methoxyphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-methoxyphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-(2-methoxy-4-pyridinyl)-7H-cyclopenta[d]pyrimidine;4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-6-(1-methylpyrazol-4-yl)-7H-cyclopenta[d]pyrimidine
CID 159542396
4-chloro-N-[1-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[d]pyrimidin-4-yl]piperidin-4-yl]thiophene-2-sulfonamide
CID 147747191
(5R)-5-methyl-4-(4-phenylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 70812056
1-(6-phenylpyrimidin-4-yl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 90518997
4-[4-(6-phenylpyrimidin-4-yl)piperazine-1-carbonyl]benzenesulfonamide
CID 90516591

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzenesulfonamide?
The IUPAC name of 4-[4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzenesulfonamide (CID 157206416) is 4-[4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzenesulfonamide is Cc1cc(C2CCN(c3ncnc4c3C=C(c3ccc(S(N)(=O)=O)cc3)C4)CC2)[nH]c1-c1ccccc1.
What is the InChIKey of 4-[4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzenesulfonamide?
The InChIKey is LIFFXJCSGJUQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5O2S/c1-19-15-26(33-28(19)22-5-3-2-4-6-22)21-11-13-34(14-12-21)29-25-16-23(17-27(25)31-18-32-29)20-7-9-24(10-8-20)37(30,35)36/h2-10,15-16,18,21,33H,11-14,17H2,1H3,(H2,30,35,36).
What are the key properties of 4-[4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzenesulfonamide?
4-[4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzenesulfonamide has a molecular weight of 511.65 g/mol, XLogP of 4.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzenesulfonamide is sourced from PubChem (CID 157206416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).