4-(1-cyclopropylpyrazol-3-yl)-N-cyclopropylsulfonyl-2-methyl-6-oxo-2-(4-pentylphenyl)-1,3-dihydropyridine-5-carboxamide

C27H34N4O4S — CID 131971649

IUPAC4-(1-cyclopropylpyrazol-3-yl)-N-cyclopropylsulfonyl-2-methyl-6-oxo-2-(4-pentylphenyl)-1,3-dihydropyridine-5-carboxamide
SMILESCCCCCc1ccc(C2(C)CC(c3ccn(C4CC4)n3)=C(C(=O)NS(=O)(=O)C3CC3)C(=O)N2)cc1
InChIInChI=1S/C27H34N4O4S/c1-3-4-5-6-18-7-9-19(10-8-18)27(2)17-22(23-15-16-31(29-23)20-11-12-20)24(25(32)28-27)26(33)30-36(34,35)21-13-14-21/h7-10,15-16,20-21H,3-6,11-14,17H2,1-2H3,(H,28,32)(H,30,33)
InChIKeyWVDCQFOHYOMPAE-UHFFFAOYSA-N
MW510.66 g/mol
LogP3.75
Rot. Bonds10

About 4-(1-cyclopropylpyrazol-3-yl)-N-cyclopropylsulfonyl-2-methyl-6-oxo-2-(4-pentylphenyl)-1,3-dihydropyridine-5-carboxamide

4-(1-cyclopropylpyrazol-3-yl)-N-cyclopropylsulfonyl-2-methyl-6-oxo-2-(4-pentylphenyl)-1,3-dihydropyridine-5-carboxamide (PubChem CID 131971649) has the molecular formula C27H34N4O4S and a molecular weight of 510.66 g/mol. Its IUPAC name is 4-(1-cyclopropylpyrazol-3-yl)-N-cyclopropylsulfonyl-2-methyl-6-oxo-2-(4-pentylphenyl)-1,3-dihydropyridine-5-carboxamide.

Molecular Properties

Compound Name4-(1-cyclopropylpyrazol-3-yl)-N-cyclopropylsulfonyl-2-methyl-6-oxo-2-(4-pentylphenyl)-1,3-dihydropyridine-5-carboxamide
PubChem CID131971649
Molecular FormulaC27H34N4O4S
Molecular Weight510.66 g/mol
Exact Mass510.23
IUPAC Name4-(1-cyclopropylpyrazol-3-yl)-N-cyclopropylsulfonyl-2-methyl-6-oxo-2-(4-pentylphenyl)-1,3-dihydropyridine-5-carboxamide
SMILESCCCCCc1ccc(C2(C)CC(c3ccn(C4CC4)n3)=C(C(=O)NS(=O)(=O)C3CC3)C(=O)N2)cc1
InChIInChI=1S/C27H34N4O4S/c1-3-4-5-6-18-7-9-19(10-8-18)27(2)17-22(23-15-16-31(29-23)20-11-12-20)24(25(32)28-27)26(33)30-36(34,35)21-13-14-21/h7-10,15-16,20-21H,3-6,11-14,17H2,1-2H3,(H,28,32)(H,30,33)
InChIKeyWVDCQFOHYOMPAE-UHFFFAOYSA-N
XLogP3.75
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.66
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopropylpyrazol-3-yl)-N-cyclopropylsulfonyl-2-methyl-6-oxo-2-(4-pentylphenyl)-1,3-dihydropyridine-5-carboxamide?
The IUPAC name of 4-(1-cyclopropylpyrazol-3-yl)-N-cyclopropylsulfonyl-2-methyl-6-oxo-2-(4-pentylphenyl)-1,3-dihydropyridine-5-carboxamide (CID 131971649) is 4-(1-cyclopropylpyrazol-3-yl)-N-cyclopropylsulfonyl-2-methyl-6-oxo-2-(4-pentylphenyl)-1,3-dihydropyridine-5-carboxamide.
What is the SMILES notation for 4-(1-cyclopropylpyrazol-3-yl)-N-cyclopropylsulfonyl-2-methyl-6-oxo-2-(4-pentylphenyl)-1,3-dihydropyridine-5-carboxamide?
The canonical SMILES for 4-(1-cyclopropylpyrazol-3-yl)-N-cyclopropylsulfonyl-2-methyl-6-oxo-2-(4-pentylphenyl)-1,3-dihydropyridine-5-carboxamide is CCCCCc1ccc(C2(C)CC(c3ccn(C4CC4)n3)=C(C(=O)NS(=O)(=O)C3CC3)C(=O)N2)cc1.
What is the InChIKey of 4-(1-cyclopropylpyrazol-3-yl)-N-cyclopropylsulfonyl-2-methyl-6-oxo-2-(4-pentylphenyl)-1,3-dihydropyridine-5-carboxamide?
The InChIKey is WVDCQFOHYOMPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O4S/c1-3-4-5-6-18-7-9-19(10-8-18)27(2)17-22(23-15-16-31(29-23)20-11-12-20)24(25(32)28-27)26(33)30-36(34,35)21-13-14-21/h7-10,15-16,20-21H,3-6,11-14,17H2,1-2H3,(H,28,32)(H,30,33).
What are the key properties of 4-(1-cyclopropylpyrazol-3-yl)-N-cyclopropylsulfonyl-2-methyl-6-oxo-2-(4-pentylphenyl)-1,3-dihydropyridine-5-carboxamide?
4-(1-cyclopropylpyrazol-3-yl)-N-cyclopropylsulfonyl-2-methyl-6-oxo-2-(4-pentylphenyl)-1,3-dihydropyridine-5-carboxamide has a molecular weight of 510.66 g/mol, XLogP of 3.75, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopropylpyrazol-3-yl)-N-cyclopropylsulfonyl-2-methyl-6-oxo-2-(4-pentylphenyl)-1,3-dihydropyridine-5-carboxamide is sourced from PubChem (CID 131971649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).