5-[2-[1-(2-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]pyrrolidin-1-yl]-5-oxopentanoic acid

C23H25N3O4 — CID 126475385

IUPAC5-[2-[1-(2-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]pyrrolidin-1-yl]-5-oxopentanoic acid
SMILESCOc1ccccc1-c1nc(C2CCCN2C(=O)CCCC(=O)O)n2ccccc12
InChIInChI=1S/C23H25N3O4/c1-30-19-11-3-2-8-16(19)22-17-9-4-5-14-26(17)23(24-22)18-10-7-15-25(18)20(27)12-6-13-21(28)29/h2-5,8-9,11,14,18H,6-7,10,12-13,15H2,1H3,(H,28,29)
InChIKeyIOIMSBPMXDKJHX-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.93
Rot. Bonds7

About 5-[2-[1-(2-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]pyrrolidin-1-yl]-5-oxopentanoic acid

5-[2-[1-(2-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]pyrrolidin-1-yl]-5-oxopentanoic acid (PubChem CID 126475385) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is 5-[2-[1-(2-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]pyrrolidin-1-yl]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[2-[1-(2-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]pyrrolidin-1-yl]-5-oxopentanoic acid
PubChem CID126475385
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name5-[2-[1-(2-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]pyrrolidin-1-yl]-5-oxopentanoic acid
SMILESCOc1ccccc1-c1nc(C2CCCN2C(=O)CCCC(=O)O)n2ccccc12
InChIInChI=1S/C23H25N3O4/c1-30-19-11-3-2-8-16(19)22-17-9-4-5-14-26(17)23(24-22)18-10-7-15-25(18)20(27)12-6-13-21(28)29/h2-5,8-9,11,14,18H,6-7,10,12-13,15H2,1H3,(H,28,29)
InChIKeyIOIMSBPMXDKJHX-UHFFFAOYSA-N
XLogP3.93
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[1-(2-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]pyrrolidin-1-yl]-5-oxopentanoic acid?
The IUPAC name of 5-[2-[1-(2-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]pyrrolidin-1-yl]-5-oxopentanoic acid (CID 126475385) is 5-[2-[1-(2-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]pyrrolidin-1-yl]-5-oxopentanoic acid.
What is the SMILES notation for 5-[2-[1-(2-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]pyrrolidin-1-yl]-5-oxopentanoic acid?
The canonical SMILES for 5-[2-[1-(2-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]pyrrolidin-1-yl]-5-oxopentanoic acid is COc1ccccc1-c1nc(C2CCCN2C(=O)CCCC(=O)O)n2ccccc12.
What is the InChIKey of 5-[2-[1-(2-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]pyrrolidin-1-yl]-5-oxopentanoic acid?
The InChIKey is IOIMSBPMXDKJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-30-19-11-3-2-8-16(19)22-17-9-4-5-14-26(17)23(24-22)18-10-7-15-25(18)20(27)12-6-13-21(28)29/h2-5,8-9,11,14,18H,6-7,10,12-13,15H2,1H3,(H,28,29).
What are the key properties of 5-[2-[1-(2-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]pyrrolidin-1-yl]-5-oxopentanoic acid?
5-[2-[1-(2-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]pyrrolidin-1-yl]-5-oxopentanoic acid has a molecular weight of 407.47 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[1-(2-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]pyrrolidin-1-yl]-5-oxopentanoic acid is sourced from PubChem (CID 126475385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).