1-(2-bromophenyl)-5-oxo-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]pyrrolidine-3-carboxamide

C24H23BrN4O2 — CID 112832867

IUPAC1-(2-bromophenyl)-5-oxo-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(-c2ncc3n2CCCC3)cc1)C1CC(=O)N(c2ccccc2Br)C1
InChIInChI=1S/C24H23BrN4O2/c25-20-6-1-2-7-21(20)29-15-17(13-22(29)30)24(31)27-18-10-8-16(9-11-18)23-26-14-19-5-3-4-12-28(19)23/h1-2,6-11,14,17H,3-5,12-13,15H2,(H,27,31)
InChIKeySKABRQVJHVIXRR-UHFFFAOYSA-N
MW479.38 g/mol
LogP4.64
Rot. Bonds4

About 1-(2-bromophenyl)-5-oxo-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]pyrrolidine-3-carboxamide

1-(2-bromophenyl)-5-oxo-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 112832867) has the molecular formula C24H23BrN4O2 and a molecular weight of 479.38 g/mol. Its IUPAC name is 1-(2-bromophenyl)-5-oxo-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-bromophenyl)-5-oxo-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]pyrrolidine-3-carboxamide
PubChem CID112832867
Molecular FormulaC24H23BrN4O2
Molecular Weight479.38 g/mol
Exact Mass478.10
IUPAC Name1-(2-bromophenyl)-5-oxo-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(-c2ncc3n2CCCC3)cc1)C1CC(=O)N(c2ccccc2Br)C1
InChIInChI=1S/C24H23BrN4O2/c25-20-6-1-2-7-21(20)29-15-17(13-22(29)30)24(31)27-18-10-8-16(9-11-18)23-26-14-19-5-3-4-12-28(19)23/h1-2,6-11,14,17H,3-5,12-13,15H2,(H,27,31)
InChIKeySKABRQVJHVIXRR-UHFFFAOYSA-N
XLogP4.64
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.38
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethylphenyl)-5-oxo-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]pyrrolidine-3-carboxamide
CID 112833300
1-(2-bromophenyl)-2-oxo-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]pyrrolidine-3-carboxamide
CID 112834583
1-(2-bromophenyl)-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46583917
(3R)-1-(2-ethoxyphenyl)-5-oxo-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]pyrrolidine-3-carboxamide
CID 25433301
1-(2-bromophenyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 42953141
3-amino-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]cyclopentane-1-carboxamide
CID 119858442
(3S)-1-(2-bromophenyl)-N-[4-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 51729548
(3S)-1-(2-bromophenyl)-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 39340628
3-bromo-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide
CID 112833016
(4S)-4-(azetidine-1-carbonyl)-1-(2-bromophenyl)pyrrolidin-2-one
CID 95615752
(4R)-4-(azetidine-1-carbonyl)-1-(2-bromophenyl)pyrrolidin-2-one
CID 95615751
(3S)-N-(4-acetamidophenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1090575

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-5-oxo-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-bromophenyl)-5-oxo-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]pyrrolidine-3-carboxamide (CID 112832867) is 1-(2-bromophenyl)-5-oxo-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-bromophenyl)-5-oxo-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-bromophenyl)-5-oxo-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]pyrrolidine-3-carboxamide is O=C(Nc1ccc(-c2ncc3n2CCCC3)cc1)C1CC(=O)N(c2ccccc2Br)C1.
What is the InChIKey of 1-(2-bromophenyl)-5-oxo-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is SKABRQVJHVIXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrN4O2/c25-20-6-1-2-7-21(20)29-15-17(13-22(29)30)24(31)27-18-10-8-16(9-11-18)23-26-14-19-5-3-4-12-28(19)23/h1-2,6-11,14,17H,3-5,12-13,15H2,(H,27,31).
What are the key properties of 1-(2-bromophenyl)-5-oxo-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]pyrrolidine-3-carboxamide?
1-(2-bromophenyl)-5-oxo-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 479.38 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-5-oxo-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 112832867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).