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

C22H27N5O — CID 83272666

IUPAC3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-phenylpyrrolidine-1-carboxamide
SMILESCC(C)Cn1c(CC2CCN(C(=O)Nc3ccccc3)C2)nc2cccnc21
InChIInChI=1S/C22H27N5O/c1-16(2)14-27-20(25-19-9-6-11-23-21(19)27)13-17-10-12-26(15-17)22(28)24-18-7-4-3-5-8-18/h3-9,11,16-17H,10,12-15H2,1-2H3,(H,24,28)
InChIKeyDJKNXUFQSITBEP-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.18
Rot. Bonds5

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

3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-phenylpyrrolidine-1-carboxamide (PubChem CID 83272666) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is 3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-phenylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-phenylpyrrolidine-1-carboxamide
PubChem CID83272666
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-phenylpyrrolidine-1-carboxamide
SMILESCC(C)Cn1c(CC2CCN(C(=O)Nc3ccccc3)C2)nc2cccnc21
InChIInChI=1S/C22H27N5O/c1-16(2)14-27-20(25-19-9-6-11-23-21(19)27)13-17-10-12-26(15-17)22(28)24-18-7-4-3-5-8-18/h3-9,11,16-17H,10,12-15H2,1-2H3,(H,24,28)
InChIKeyDJKNXUFQSITBEP-UHFFFAOYSA-N
XLogP4.18
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-phenylpyrrolidine-1-carboxamide?
The IUPAC name of 3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-phenylpyrrolidine-1-carboxamide (CID 83272666) is 3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-phenylpyrrolidine-1-carboxamide.
What is the SMILES notation for 3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-phenylpyrrolidine-1-carboxamide?
The canonical SMILES for 3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-phenylpyrrolidine-1-carboxamide is CC(C)Cn1c(CC2CCN(C(=O)Nc3ccccc3)C2)nc2cccnc21.
What is the InChIKey of 3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-phenylpyrrolidine-1-carboxamide?
The InChIKey is DJKNXUFQSITBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-16(2)14-27-20(25-19-9-6-11-23-21(19)27)13-17-10-12-26(15-17)22(28)24-18-7-4-3-5-8-18/h3-9,11,16-17H,10,12-15H2,1-2H3,(H,24,28).
What are the key properties of 3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-phenylpyrrolidine-1-carboxamide?
3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-phenylpyrrolidine-1-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-phenylpyrrolidine-1-carboxamide is sourced from PubChem (CID 83272666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).