3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]-N-phenylpyrrolidine-1-carboxamide

C24H23N5O2 — CID 87050871

IUPAC3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]-N-phenylpyrrolidine-1-carboxamide
SMILESCOc1ccc(-c2nc3cccnc3n2C2CCN(C(=O)Nc3ccccc3)C2)cc1
InChIInChI=1S/C24H23N5O2/c1-31-20-11-9-17(10-12-20)22-27-21-8-5-14-25-23(21)29(22)19-13-15-28(16-19)24(30)26-18-6-3-2-4-7-18/h2-12,14,19H,13,15-16H2,1H3,(H,26,30)
InChIKeyWFYOUIPNUUZOJN-UHFFFAOYSA-N
MW413.48 g/mol
LogP4.59
Rot. Bonds4

About 3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]-N-phenylpyrrolidine-1-carboxamide

3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]-N-phenylpyrrolidine-1-carboxamide (PubChem CID 87050871) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is 3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]-N-phenylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]-N-phenylpyrrolidine-1-carboxamide
PubChem CID87050871
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Name3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]-N-phenylpyrrolidine-1-carboxamide
SMILESCOc1ccc(-c2nc3cccnc3n2C2CCN(C(=O)Nc3ccccc3)C2)cc1
InChIInChI=1S/C24H23N5O2/c1-31-20-11-9-17(10-12-20)22-27-21-8-5-14-25-23(21)29(22)19-13-15-28(16-19)24(30)26-18-6-3-2-4-7-18/h2-12,14,19H,13,15-16H2,1H3,(H,26,30)
InChIKeyWFYOUIPNUUZOJN-UHFFFAOYSA-N
XLogP4.59
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]-N-phenylpyrrolidine-1-carboxamide?
The IUPAC name of 3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]-N-phenylpyrrolidine-1-carboxamide (CID 87050871) is 3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]-N-phenylpyrrolidine-1-carboxamide.
What is the SMILES notation for 3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]-N-phenylpyrrolidine-1-carboxamide?
The canonical SMILES for 3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]-N-phenylpyrrolidine-1-carboxamide is COc1ccc(-c2nc3cccnc3n2C2CCN(C(=O)Nc3ccccc3)C2)cc1.
What is the InChIKey of 3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]-N-phenylpyrrolidine-1-carboxamide?
The InChIKey is WFYOUIPNUUZOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-31-20-11-9-17(10-12-20)22-27-21-8-5-14-25-23(21)29(22)19-13-15-28(16-19)24(30)26-18-6-3-2-4-7-18/h2-12,14,19H,13,15-16H2,1H3,(H,26,30).
What are the key properties of 3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]-N-phenylpyrrolidine-1-carboxamide?
3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]-N-phenylpyrrolidine-1-carboxamide has a molecular weight of 413.48 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]-N-phenylpyrrolidine-1-carboxamide is sourced from PubChem (CID 87050871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).