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

C26H34N4O4S2 — CID 131971658

IUPACN-cyclopropylsulfonyl-4-(5-cyclopropylthiophen-2-yl)-2-(1-hexylpyrazol-4-yl)-2-methyl-6-oxo-1,3-dihydropyridine-5-carboxamide
SMILESCCCCCCn1cc(C2(C)CC(c3ccc(C4CC4)s3)=C(C(=O)NS(=O)(=O)C3CC3)C(=O)N2)cn1
InChIInChI=1S/C26H34N4O4S2/c1-3-4-5-6-13-30-16-18(15-27-30)26(2)14-20(22-12-11-21(35-22)17-7-8-17)23(24(31)28-26)25(32)29-36(33,34)19-9-10-19/h11-12,15-17,19H,3-10,13-14H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyRFRGWBOMCILIKF-UHFFFAOYSA-N
MW530.72 g/mol
LogP4.20
Rot. Bonds11

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

N-cyclopropylsulfonyl-4-(5-cyclopropylthiophen-2-yl)-2-(1-hexylpyrazol-4-yl)-2-methyl-6-oxo-1,3-dihydropyridine-5-carboxamide (PubChem CID 131971658) has the molecular formula C26H34N4O4S2 and a molecular weight of 530.72 g/mol. Its IUPAC name is N-cyclopropylsulfonyl-4-(5-cyclopropylthiophen-2-yl)-2-(1-hexylpyrazol-4-yl)-2-methyl-6-oxo-1,3-dihydropyridine-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropylsulfonyl-4-(5-cyclopropylthiophen-2-yl)-2-(1-hexylpyrazol-4-yl)-2-methyl-6-oxo-1,3-dihydropyridine-5-carboxamide
PubChem CID131971658
Molecular FormulaC26H34N4O4S2
Molecular Weight530.72 g/mol
Exact Mass530.20
IUPAC NameN-cyclopropylsulfonyl-4-(5-cyclopropylthiophen-2-yl)-2-(1-hexylpyrazol-4-yl)-2-methyl-6-oxo-1,3-dihydropyridine-5-carboxamide
SMILESCCCCCCn1cc(C2(C)CC(c3ccc(C4CC4)s3)=C(C(=O)NS(=O)(=O)C3CC3)C(=O)N2)cn1
InChIInChI=1S/C26H34N4O4S2/c1-3-4-5-6-13-30-16-18(15-27-30)26(2)14-20(22-12-11-21(35-22)17-7-8-17)23(24(31)28-26)25(32)29-36(33,34)19-9-10-19/h11-12,15-17,19H,3-10,13-14H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyRFRGWBOMCILIKF-UHFFFAOYSA-N
XLogP4.20
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.72
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 N-cyclopropylsulfonyl-4-(5-cyclopropylthiophen-2-yl)-2-(1-hexylpyrazol-4-yl)-2-methyl-6-oxo-1,3-dihydropyridine-5-carboxamide?
The IUPAC name of N-cyclopropylsulfonyl-4-(5-cyclopropylthiophen-2-yl)-2-(1-hexylpyrazol-4-yl)-2-methyl-6-oxo-1,3-dihydropyridine-5-carboxamide (CID 131971658) is N-cyclopropylsulfonyl-4-(5-cyclopropylthiophen-2-yl)-2-(1-hexylpyrazol-4-yl)-2-methyl-6-oxo-1,3-dihydropyridine-5-carboxamide.
What is the SMILES notation for N-cyclopropylsulfonyl-4-(5-cyclopropylthiophen-2-yl)-2-(1-hexylpyrazol-4-yl)-2-methyl-6-oxo-1,3-dihydropyridine-5-carboxamide?
The canonical SMILES for N-cyclopropylsulfonyl-4-(5-cyclopropylthiophen-2-yl)-2-(1-hexylpyrazol-4-yl)-2-methyl-6-oxo-1,3-dihydropyridine-5-carboxamide is CCCCCCn1cc(C2(C)CC(c3ccc(C4CC4)s3)=C(C(=O)NS(=O)(=O)C3CC3)C(=O)N2)cn1.
What is the InChIKey of N-cyclopropylsulfonyl-4-(5-cyclopropylthiophen-2-yl)-2-(1-hexylpyrazol-4-yl)-2-methyl-6-oxo-1,3-dihydropyridine-5-carboxamide?
The InChIKey is RFRGWBOMCILIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O4S2/c1-3-4-5-6-13-30-16-18(15-27-30)26(2)14-20(22-12-11-21(35-22)17-7-8-17)23(24(31)28-26)25(32)29-36(33,34)19-9-10-19/h11-12,15-17,19H,3-10,13-14H2,1-2H3,(H,28,31)(H,29,32).
What are the key properties of N-cyclopropylsulfonyl-4-(5-cyclopropylthiophen-2-yl)-2-(1-hexylpyrazol-4-yl)-2-methyl-6-oxo-1,3-dihydropyridine-5-carboxamide?
N-cyclopropylsulfonyl-4-(5-cyclopropylthiophen-2-yl)-2-(1-hexylpyrazol-4-yl)-2-methyl-6-oxo-1,3-dihydropyridine-5-carboxamide has a molecular weight of 530.72 g/mol, XLogP of 4.20, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropylsulfonyl-4-(5-cyclopropylthiophen-2-yl)-2-(1-hexylpyrazol-4-yl)-2-methyl-6-oxo-1,3-dihydropyridine-5-carboxamide is sourced from PubChem (CID 131971658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).