3-methyl-5-oxo-5-[2-(1-phenylimidazo[1,5-a]pyridin-3-yl)pyrrolidin-1-yl]pentanoic acid

C23H25N3O3 — CID 126470415

IUPAC3-methyl-5-oxo-5-[2-(1-phenylimidazo[1,5-a]pyridin-3-yl)pyrrolidin-1-yl]pentanoic acid
SMILESCC(CC(=O)O)CC(=O)N1CCCC1c1nc(-c2ccccc2)c2ccccn12
InChIInChI=1S/C23H25N3O3/c1-16(15-21(28)29)14-20(27)25-13-7-11-19(25)23-24-22(17-8-3-2-4-9-17)18-10-5-6-12-26(18)23/h2-6,8-10,12,16,19H,7,11,13-15H2,1H3,(H,28,29)
InChIKeyBBDBKIZUWMQVTD-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.17
Rot. Bonds6

About 3-methyl-5-oxo-5-[2-(1-phenylimidazo[1,5-a]pyridin-3-yl)pyrrolidin-1-yl]pentanoic acid

3-methyl-5-oxo-5-[2-(1-phenylimidazo[1,5-a]pyridin-3-yl)pyrrolidin-1-yl]pentanoic acid (PubChem CID 126470415) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 3-methyl-5-oxo-5-[2-(1-phenylimidazo[1,5-a]pyridin-3-yl)pyrrolidin-1-yl]pentanoic acid.

Molecular Properties

Compound Name3-methyl-5-oxo-5-[2-(1-phenylimidazo[1,5-a]pyridin-3-yl)pyrrolidin-1-yl]pentanoic acid
PubChem CID126470415
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name3-methyl-5-oxo-5-[2-(1-phenylimidazo[1,5-a]pyridin-3-yl)pyrrolidin-1-yl]pentanoic acid
SMILESCC(CC(=O)O)CC(=O)N1CCCC1c1nc(-c2ccccc2)c2ccccn12
InChIInChI=1S/C23H25N3O3/c1-16(15-21(28)29)14-20(27)25-13-7-11-19(25)23-24-22(17-8-3-2-4-9-17)18-10-5-6-12-26(18)23/h2-6,8-10,12,16,19H,7,11,13-15H2,1H3,(H,28,29)
InChIKeyBBDBKIZUWMQVTD-UHFFFAOYSA-N
XLogP4.17
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-oxo-5-[2-(1-phenylimidazo[1,5-a]pyridin-3-yl)pyrrolidin-1-yl]pentanoic acid?
The IUPAC name of 3-methyl-5-oxo-5-[2-(1-phenylimidazo[1,5-a]pyridin-3-yl)pyrrolidin-1-yl]pentanoic acid (CID 126470415) is 3-methyl-5-oxo-5-[2-(1-phenylimidazo[1,5-a]pyridin-3-yl)pyrrolidin-1-yl]pentanoic acid.
What is the SMILES notation for 3-methyl-5-oxo-5-[2-(1-phenylimidazo[1,5-a]pyridin-3-yl)pyrrolidin-1-yl]pentanoic acid?
The canonical SMILES for 3-methyl-5-oxo-5-[2-(1-phenylimidazo[1,5-a]pyridin-3-yl)pyrrolidin-1-yl]pentanoic acid is CC(CC(=O)O)CC(=O)N1CCCC1c1nc(-c2ccccc2)c2ccccn12.
What is the InChIKey of 3-methyl-5-oxo-5-[2-(1-phenylimidazo[1,5-a]pyridin-3-yl)pyrrolidin-1-yl]pentanoic acid?
The InChIKey is BBDBKIZUWMQVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-16(15-21(28)29)14-20(27)25-13-7-11-19(25)23-24-22(17-8-3-2-4-9-17)18-10-5-6-12-26(18)23/h2-6,8-10,12,16,19H,7,11,13-15H2,1H3,(H,28,29).
What are the key properties of 3-methyl-5-oxo-5-[2-(1-phenylimidazo[1,5-a]pyridin-3-yl)pyrrolidin-1-yl]pentanoic acid?
3-methyl-5-oxo-5-[2-(1-phenylimidazo[1,5-a]pyridin-3-yl)pyrrolidin-1-yl]pentanoic acid has a molecular weight of 391.47 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-oxo-5-[2-(1-phenylimidazo[1,5-a]pyridin-3-yl)pyrrolidin-1-yl]pentanoic acid is sourced from PubChem (CID 126470415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).