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

C24H31N5O2 — CID 83275992

IUPACN-(2-methoxy-5-methylphenyl)-3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidine-1-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)N1CCC(Cc2nc3cccnc3n2CC(C)C)C1
InChIInChI=1S/C24H31N5O2/c1-16(2)14-29-22(26-19-6-5-10-25-23(19)29)13-18-9-11-28(15-18)24(30)27-20-12-17(3)7-8-21(20)31-4/h5-8,10,12,16,18H,9,11,13-15H2,1-4H3,(H,27,30)
InChIKeyFHYLFOCXWVEWOX-UHFFFAOYSA-N
MW421.55 g/mol
LogP4.50
Rot. Bonds6

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

N-(2-methoxy-5-methylphenyl)-3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidine-1-carboxamide (PubChem CID 83275992) has the molecular formula C24H31N5O2 and a molecular weight of 421.55 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidine-1-carboxamide
PubChem CID83275992
Molecular FormulaC24H31N5O2
Molecular Weight421.55 g/mol
Exact Mass421.25
IUPAC NameN-(2-methoxy-5-methylphenyl)-3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidine-1-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)N1CCC(Cc2nc3cccnc3n2CC(C)C)C1
InChIInChI=1S/C24H31N5O2/c1-16(2)14-29-22(26-19-6-5-10-25-23(19)29)13-18-9-11-28(15-18)24(30)27-20-12-17(3)7-8-21(20)31-4/h5-8,10,12,16,18H,9,11,13-15H2,1-4H3,(H,27,30)
InChIKeyFHYLFOCXWVEWOX-UHFFFAOYSA-N
XLogP4.50
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidine-1-carboxamide (CID 83275992) is N-(2-methoxy-5-methylphenyl)-3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidine-1-carboxamide is COc1ccc(C)cc1NC(=O)N1CCC(Cc2nc3cccnc3n2CC(C)C)C1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidine-1-carboxamide?
The InChIKey is FHYLFOCXWVEWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O2/c1-16(2)14-29-22(26-19-6-5-10-25-23(19)29)13-18-9-11-28(15-18)24(30)27-20-12-17(3)7-8-21(20)31-4/h5-8,10,12,16,18H,9,11,13-15H2,1-4H3,(H,27,30).
What are the key properties of N-(2-methoxy-5-methylphenyl)-3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidine-1-carboxamide?
N-(2-methoxy-5-methylphenyl)-3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidine-1-carboxamide has a molecular weight of 421.55 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 83275992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).