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

C24H23BrN4O2 — CID 112834583

IUPAC1-(2-bromophenyl)-2-oxo-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(-c2ncc3n2CCCC3)cc1)C1CCN(c2ccccc2Br)C1=O
InChIInChI=1S/C24H23BrN4O2/c25-20-6-1-2-7-21(20)29-14-12-19(24(29)31)23(30)27-17-10-8-16(9-11-17)22-26-15-18-5-3-4-13-28(18)22/h1-2,6-11,15,19H,3-5,12-14H2,(H,27,30)
InChIKeyRXHKITVSCQVITB-UHFFFAOYSA-N
MW479.38 g/mol
LogP4.64
Rot. Bonds4

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

1-(2-bromophenyl)-2-oxo-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 112834583) has the molecular formula C24H23BrN4O2 and a molecular weight of 479.38 g/mol. Its IUPAC name is 1-(2-bromophenyl)-2-oxo-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-bromophenyl)-2-oxo-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]pyrrolidine-3-carboxamide
PubChem CID112834583
Molecular FormulaC24H23BrN4O2
Molecular Weight479.38 g/mol
Exact Mass478.10
IUPAC Name1-(2-bromophenyl)-2-oxo-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(-c2ncc3n2CCCC3)cc1)C1CCN(c2ccccc2Br)C1=O
InChIInChI=1S/C24H23BrN4O2/c25-20-6-1-2-7-21(20)29-14-12-19(24(29)31)23(30)27-17-10-8-16(9-11-17)22-26-15-18-5-3-4-13-28(18)22/h1-2,6-11,15,19H,3-5,12-14H2,(H,27,30)
InChIKeyRXHKITVSCQVITB-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(2-bromophenyl)-5-oxo-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]pyrrolidine-3-carboxamide
CID 112832867
1-(2-bromophenyl)-2-oxo-N-(4-propylphenyl)pyrrolidine-3-carboxamide
CID 112834285
1-(2-ethylphenyl)-5-oxo-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]pyrrolidine-3-carboxamide
CID 112833300
3-amino-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]cyclopentane-1-carboxamide
CID 119858442
1-(2-bromophenyl)-N-(4-carbamoyl-3-methylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 56517734
1-(2-bromophenyl)-N-cyclooctyl-2-oxopyrrolidine-3-carboxamide
CID 71893622
3-bromo-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide
CID 112833016
(3S)-1-(2-bromophenyl)-3-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 94010469
1-(2-bromophenyl)-2-oxo-N-[2-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 55790178
2-(2-ethoxyphenoxy)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]acetamide
CID 166190257
5-bromo-2-fluoro-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide
CID 112832989
4-[[1-(2-bromophenyl)-2-oxopyrrolidine-3-carbonyl]amino]-5-methyl-1H-pyrazole-3-carboxamide
CID 56571589

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-2-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)-2-oxo-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]pyrrolidine-3-carboxamide (CID 112834583) is 1-(2-bromophenyl)-2-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)-2-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)-2-oxo-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]pyrrolidine-3-carboxamide is O=C(Nc1ccc(-c2ncc3n2CCCC3)cc1)C1CCN(c2ccccc2Br)C1=O.
What is the InChIKey of 1-(2-bromophenyl)-2-oxo-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is RXHKITVSCQVITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrN4O2/c25-20-6-1-2-7-21(20)29-14-12-19(24(29)31)23(30)27-17-10-8-16(9-11-17)22-26-15-18-5-3-4-13-28(18)22/h1-2,6-11,15,19H,3-5,12-14H2,(H,27,30).
What are the key properties of 1-(2-bromophenyl)-2-oxo-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]pyrrolidine-3-carboxamide?
1-(2-bromophenyl)-2-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)-2-oxo-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 112834583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).