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

C25H25N5O2 — CID 87050886

IUPACN-benzyl-3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide
SMILESCOc1ccc(-c2nc3cccnc3n2C2CCN(C(=O)NCc3ccccc3)C2)cc1
InChIInChI=1S/C25H25N5O2/c1-32-21-11-9-19(10-12-21)23-28-22-8-5-14-26-24(22)30(23)20-13-15-29(17-20)25(31)27-16-18-6-3-2-4-7-18/h2-12,14,20H,13,15-17H2,1H3,(H,27,31)
InChIKeyLYLINATUQAJYGO-UHFFFAOYSA-N
MW427.51 g/mol
LogP4.26
Rot. Bonds5

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

N-benzyl-3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide (PubChem CID 87050886) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is N-benzyl-3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide
PubChem CID87050886
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC NameN-benzyl-3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide
SMILESCOc1ccc(-c2nc3cccnc3n2C2CCN(C(=O)NCc3ccccc3)C2)cc1
InChIInChI=1S/C25H25N5O2/c1-32-21-11-9-19(10-12-21)23-28-22-8-5-14-26-24(22)30(23)20-13-15-29(17-20)25(31)27-16-18-6-3-2-4-7-18/h2-12,14,20H,13,15-17H2,1H3,(H,27,31)
InChIKeyLYLINATUQAJYGO-UHFFFAOYSA-N
XLogP4.26
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide?
The IUPAC name of N-benzyl-3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide (CID 87050886) is N-benzyl-3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-benzyl-3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-benzyl-3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide is COc1ccc(-c2nc3cccnc3n2C2CCN(C(=O)NCc3ccccc3)C2)cc1.
What is the InChIKey of N-benzyl-3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide?
The InChIKey is LYLINATUQAJYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-32-21-11-9-19(10-12-21)23-28-22-8-5-14-26-24(22)30(23)20-13-15-29(17-20)25(31)27-16-18-6-3-2-4-7-18/h2-12,14,20H,13,15-17H2,1H3,(H,27,31).
What are the key properties of N-benzyl-3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide?
N-benzyl-3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide has a molecular weight of 427.51 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 87050886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).