4-fluoro-N-(oxan-4-yl)-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]indole-3-carboxamide

C25H26FN3O3 — CID 144813109

IUPAC4-fluoro-N-(oxan-4-yl)-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]indole-3-carboxamide
SMILESO=C(NC1CCOCC1)c1cn(Cc2ccc(N3CCCC3=O)cc2)c2cccc(F)c12
InChIInChI=1S/C25H26FN3O3/c26-21-3-1-4-22-24(21)20(25(31)27-18-10-13-32-14-11-18)16-28(22)15-17-6-8-19(9-7-17)29-12-2-5-23(29)30/h1,3-4,6-9,16,18H,2,5,10-15H2,(H,27,31)
InChIKeyMZGOLHXMNONHEF-UHFFFAOYSA-N
MW435.50 g/mol
LogP3.86
Rot. Bonds5

About 4-fluoro-N-(oxan-4-yl)-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]indole-3-carboxamide

4-fluoro-N-(oxan-4-yl)-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]indole-3-carboxamide (PubChem CID 144813109) has the molecular formula C25H26FN3O3 and a molecular weight of 435.50 g/mol. Its IUPAC name is 4-fluoro-N-(oxan-4-yl)-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]indole-3-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-(oxan-4-yl)-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]indole-3-carboxamide
PubChem CID144813109
Molecular FormulaC25H26FN3O3
Molecular Weight435.50 g/mol
Exact Mass435.20
IUPAC Name4-fluoro-N-(oxan-4-yl)-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]indole-3-carboxamide
SMILESO=C(NC1CCOCC1)c1cn(Cc2ccc(N3CCCC3=O)cc2)c2cccc(F)c12
InChIInChI=1S/C25H26FN3O3/c26-21-3-1-4-22-24(21)20(25(31)27-18-10-13-32-14-11-18)16-28(22)15-17-6-8-19(9-7-17)29-12-2-5-23(29)30/h1,3-4,6-9,16,18H,2,5,10-15H2,(H,27,31)
InChIKeyMZGOLHXMNONHEF-UHFFFAOYSA-N
XLogP3.86
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-carbamoylphenyl)methyl]-4-fluoro-N-(oxan-4-yl)indole-3-carboxamide
CID 123766771
N-cycloheptyl-4-fluoro-1-[[4-(methylcarbamoyl)phenyl]methyl]indole-3-carboxamide
CID 121482780
N-cycloheptyl-4-fluoro-1-[(4-propanoylphenyl)methyl]indole-3-carboxamide
CID 159266559
4-fluoro-1-[[4-(methylcarbamoyl)phenyl]methyl]-N-(oxan-4-yl)indole-3-carboxamide;1H-indole-3-carboxamide
CID 158014533
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 55959532
N-cyclohexyl-4-fluoro-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide
CID 123838231
N-cyclohexyl-4-fluoro-1-[(3-fluoro-4-methoxyphenyl)methyl]indole-3-carboxamide
CID 144813115
4-fluoro-1-[(4-fluorophenyl)methyl]-N-(3-fluoropiperidin-4-yl)indole-3-carboxamide;hydrochloride
CID 126674071
6-fluoro-4-oxo-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]quinoline-3-carboxylic acid
CID 56771912
N-cyclopropyl-4-(2-oxopiperidin-1-yl)benzamide
CID 18105948
N-cyclohexyl-4,5-difluoro-1-[[4-(4-methylimidazol-1-yl)phenyl]methyl]indole-3-carboxamide
CID 144813167
N-(1-benzylpyrrolidin-3-yl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 17436953

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(oxan-4-yl)-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]indole-3-carboxamide?
The IUPAC name of 4-fluoro-N-(oxan-4-yl)-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]indole-3-carboxamide (CID 144813109) is 4-fluoro-N-(oxan-4-yl)-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]indole-3-carboxamide.
What is the SMILES notation for 4-fluoro-N-(oxan-4-yl)-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]indole-3-carboxamide?
The canonical SMILES for 4-fluoro-N-(oxan-4-yl)-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]indole-3-carboxamide is O=C(NC1CCOCC1)c1cn(Cc2ccc(N3CCCC3=O)cc2)c2cccc(F)c12.
What is the InChIKey of 4-fluoro-N-(oxan-4-yl)-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]indole-3-carboxamide?
The InChIKey is MZGOLHXMNONHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O3/c26-21-3-1-4-22-24(21)20(25(31)27-18-10-13-32-14-11-18)16-28(22)15-17-6-8-19(9-7-17)29-12-2-5-23(29)30/h1,3-4,6-9,16,18H,2,5,10-15H2,(H,27,31).
What are the key properties of 4-fluoro-N-(oxan-4-yl)-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]indole-3-carboxamide?
4-fluoro-N-(oxan-4-yl)-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]indole-3-carboxamide has a molecular weight of 435.50 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(oxan-4-yl)-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]indole-3-carboxamide is sourced from PubChem (CID 144813109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).