1-(4-fluorophenyl)-2-oxo-N-[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-4-yl]pyridine-3-carboxamide

C25H17FN4O3 — CID 71815388

IUPAC1-(4-fluorophenyl)-2-oxo-N-[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-4-yl]pyridine-3-carboxamide
SMILESO=C1Nc2cccc(NC(=O)c3cccn(-c4ccc(F)cc4)c3=O)c2/C1=C/c1ccc[nH]1
InChIInChI=1S/C25H17FN4O3/c26-15-8-10-17(11-9-15)30-13-3-5-18(25(30)33)23(31)28-20-6-1-7-21-22(20)19(24(32)29-21)14-16-4-2-12-27-16/h1-14,27H,(H,28,31)(H,29,32)/b19-14-
InChIKeyXDRNSONQGZAXAG-RGEXLXHISA-N
MW440.43 g/mol
LogP4.05
Rot. Bonds4

About 1-(4-fluorophenyl)-2-oxo-N-[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-4-yl]pyridine-3-carboxamide

1-(4-fluorophenyl)-2-oxo-N-[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-4-yl]pyridine-3-carboxamide (PubChem CID 71815388) has the molecular formula C25H17FN4O3 and a molecular weight of 440.43 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-oxo-N-[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-oxo-N-[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-4-yl]pyridine-3-carboxamide
PubChem CID71815388
Molecular FormulaC25H17FN4O3
Molecular Weight440.43 g/mol
Exact Mass440.13
IUPAC Name1-(4-fluorophenyl)-2-oxo-N-[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-4-yl]pyridine-3-carboxamide
SMILESO=C1Nc2cccc(NC(=O)c3cccn(-c4ccc(F)cc4)c3=O)c2/C1=C/c1ccc[nH]1
InChIInChI=1S/C25H17FN4O3/c26-15-8-10-17(11-9-15)30-13-3-5-18(25(30)33)23(31)28-20-6-1-7-21-22(20)19(24(32)29-21)14-16-4-2-12-27-16/h1-14,27H,(H,28,31)(H,29,32)/b19-14-
InChIKeyXDRNSONQGZAXAG-RGEXLXHISA-N
XLogP4.05
TPSA95.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.43
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluorophenyl)-2-oxo-N-(2-oxo-1,3-dihydroindol-4-yl)pyridine-3-carboxamide
CID 86699720
1-(4-fluorophenyl)-2-oxopyridine-3-carboxylic acid
CID 21081527
2-[5-[(Z)-[6-[[1-(4-fluorophenyl)-2-oxopyridine-3-carbonyl]amino]-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]acetic acid
CID 71815750
(3Z)-5-fluoro-4-(4-hydroxyphenyl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one
CID 18363885
5-fluoro-4-(4-hydroxyphenyl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one
CID 54071594
N-[[5-fluoro-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]carbamoyl]-4-methoxybenzamide
CID 140665482
2-oxo-4-[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]-1-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 157489000
1-[4-[(2-fluorobenzoyl)amino]phenyl]-N-methyl-2-oxopyridine-3-carboxamide
CID 53119471
N-[(4-fluorophenyl)methyl]-1-[4-[(3-methylbenzoyl)amino]phenyl]-2-oxopyridine-3-carboxamide
CID 53119399
methyl (E)-3-(2-oxo-1,3-dihydroindol-4-yl)prop-2-enoate;methyl (E)-3-[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-4-yl]prop-2-enoate;1H-pyrrole-2-carbaldehyde
CID 158301457
4-methoxy-N-[[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-7-yl]carbamoyl]benzamide
CID 123176936
N-cyclohexyl-1-[4-[(4-fluorobenzoyl)amino]phenyl]-2-oxopyridine-3-carboxamide
CID 53119458

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-oxo-N-[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-4-yl]pyridine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-2-oxo-N-[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-4-yl]pyridine-3-carboxamide (CID 71815388) is 1-(4-fluorophenyl)-2-oxo-N-[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-2-oxo-N-[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-2-oxo-N-[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-4-yl]pyridine-3-carboxamide is O=C1Nc2cccc(NC(=O)c3cccn(-c4ccc(F)cc4)c3=O)c2/C1=C/c1ccc[nH]1.
What is the InChIKey of 1-(4-fluorophenyl)-2-oxo-N-[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-4-yl]pyridine-3-carboxamide?
The InChIKey is XDRNSONQGZAXAG-RGEXLXHISA-N. The full InChI is InChI=1S/C25H17FN4O3/c26-15-8-10-17(11-9-15)30-13-3-5-18(25(30)33)23(31)28-20-6-1-7-21-22(20)19(24(32)29-21)14-16-4-2-12-27-16/h1-14,27H,(H,28,31)(H,29,32)/b19-14-.
What are the key properties of 1-(4-fluorophenyl)-2-oxo-N-[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-4-yl]pyridine-3-carboxamide?
1-(4-fluorophenyl)-2-oxo-N-[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-4-yl]pyridine-3-carboxamide has a molecular weight of 440.43 g/mol, XLogP of 4.05, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-oxo-N-[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 71815388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).