4-(4-fluorophenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]-1H-pyrrole-2-carboxamide

C21H16FN3OS — CID 91625646

IUPAC4-(4-fluorophenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]-1H-pyrrole-2-carboxamide
SMILESO=C(NCc1ccnc(-c2ccsc2)c1)c1cc(-c2ccc(F)cc2)c[nH]1
InChIInChI=1S/C21H16FN3OS/c22-18-3-1-15(2-4-18)17-10-20(24-12-17)21(26)25-11-14-5-7-23-19(9-14)16-6-8-27-13-16/h1-10,12-13,24H,11H2,(H,25,26)
InChIKeyHPLQWVGFCVTKDC-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.87
Rot. Bonds5

About 4-(4-fluorophenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]-1H-pyrrole-2-carboxamide

4-(4-fluorophenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]-1H-pyrrole-2-carboxamide (PubChem CID 91625646) has the molecular formula C21H16FN3OS and a molecular weight of 377.44 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]-1H-pyrrole-2-carboxamide
PubChem CID91625646
Molecular FormulaC21H16FN3OS
Molecular Weight377.44 g/mol
Exact Mass377.10
IUPAC Name4-(4-fluorophenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]-1H-pyrrole-2-carboxamide
SMILESO=C(NCc1ccnc(-c2ccsc2)c1)c1cc(-c2ccc(F)cc2)c[nH]1
InChIInChI=1S/C21H16FN3OS/c22-18-3-1-15(2-4-18)17-10-20(24-12-17)21(26)25-11-14-5-7-23-19(9-14)16-6-8-27-13-16/h1-10,12-13,24H,11H2,(H,25,26)
InChIKeyHPLQWVGFCVTKDC-UHFFFAOYSA-N
XLogP4.87
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]-1H-pyrrole-2-carboxamide (CID 91625646) is 4-(4-fluorophenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]-1H-pyrrole-2-carboxamide is O=C(NCc1ccnc(-c2ccsc2)c1)c1cc(-c2ccc(F)cc2)c[nH]1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is HPLQWVGFCVTKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3OS/c22-18-3-1-15(2-4-18)17-10-20(24-12-17)21(26)25-11-14-5-7-23-19(9-14)16-6-8-27-13-16/h1-10,12-13,24H,11H2,(H,25,26).
What are the key properties of 4-(4-fluorophenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]-1H-pyrrole-2-carboxamide?
4-(4-fluorophenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 4.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 91625646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).