4-(5-chlorothiophen-2-yl)-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-1H-pyrrole-3-carboxamide

C19H16ClN5OS — CID 47517647

IUPAC4-(5-chlorothiophen-2-yl)-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-1H-pyrrole-3-carboxamide
SMILESCc1nccn1-c1cc(CNC(=O)c2c[nH]cc2-c2ccc(Cl)s2)ccn1
InChIInChI=1S/C19H16ClN5OS/c1-12-22-6-7-25(12)18-8-13(4-5-23-18)9-24-19(26)15-11-21-10-14(15)16-2-3-17(20)27-16/h2-8,10-11,21H,9H2,1H3,(H,24,26)
InChIKeyGWVVHJPJNDAJCR-UHFFFAOYSA-N
MW397.89 g/mol
LogP4.22
Rot. Bonds5

About 4-(5-chlorothiophen-2-yl)-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-1H-pyrrole-3-carboxamide

4-(5-chlorothiophen-2-yl)-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-1H-pyrrole-3-carboxamide (PubChem CID 47517647) has the molecular formula C19H16ClN5OS and a molecular weight of 397.89 g/mol. Its IUPAC name is 4-(5-chlorothiophen-2-yl)-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name4-(5-chlorothiophen-2-yl)-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-1H-pyrrole-3-carboxamide
PubChem CID47517647
Molecular FormulaC19H16ClN5OS
Molecular Weight397.89 g/mol
Exact Mass397.08
IUPAC Name4-(5-chlorothiophen-2-yl)-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-1H-pyrrole-3-carboxamide
SMILESCc1nccn1-c1cc(CNC(=O)c2c[nH]cc2-c2ccc(Cl)s2)ccn1
InChIInChI=1S/C19H16ClN5OS/c1-12-22-6-7-25(12)18-8-13(4-5-23-18)9-24-19(26)15-11-21-10-14(15)16-2-3-17(20)27-16/h2-8,10-11,21H,9H2,1H3,(H,24,26)
InChIKeyGWVVHJPJNDAJCR-UHFFFAOYSA-N
XLogP4.22
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.89
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorothiophen-2-yl)-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of 4-(5-chlorothiophen-2-yl)-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-1H-pyrrole-3-carboxamide (CID 47517647) is 4-(5-chlorothiophen-2-yl)-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 4-(5-chlorothiophen-2-yl)-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for 4-(5-chlorothiophen-2-yl)-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-1H-pyrrole-3-carboxamide is Cc1nccn1-c1cc(CNC(=O)c2c[nH]cc2-c2ccc(Cl)s2)ccn1.
What is the InChIKey of 4-(5-chlorothiophen-2-yl)-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-1H-pyrrole-3-carboxamide?
The InChIKey is GWVVHJPJNDAJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5OS/c1-12-22-6-7-25(12)18-8-13(4-5-23-18)9-24-19(26)15-11-21-10-14(15)16-2-3-17(20)27-16/h2-8,10-11,21H,9H2,1H3,(H,24,26).
What are the key properties of 4-(5-chlorothiophen-2-yl)-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-1H-pyrrole-3-carboxamide?
4-(5-chlorothiophen-2-yl)-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-1H-pyrrole-3-carboxamide has a molecular weight of 397.89 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorothiophen-2-yl)-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 47517647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).