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

C24H31N5O2 — CID 53194571

IUPACN-(4-methoxy-2-methylphenyl)-3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC(Cc3nc4cccnc4n3CC(C)C)C2)c(C)c1
InChIInChI=1S/C24H31N5O2/c1-16(2)14-29-22(26-21-6-5-10-25-23(21)29)13-18-9-11-28(15-18)24(30)27-20-8-7-19(31-4)12-17(20)3/h5-8,10,12,16,18H,9,11,13-15H2,1-4H3,(H,27,30)
InChIKeyOYDAHTWCYFMWRY-UHFFFAOYSA-N
MW421.55 g/mol
LogP4.50
Rot. Bonds6

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

N-(4-methoxy-2-methylphenyl)-3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidine-1-carboxamide (PubChem CID 53194571) has the molecular formula C24H31N5O2 and a molecular weight of 421.55 g/mol. Its IUPAC name is N-(4-methoxy-2-methylphenyl)-3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-methoxy-2-methylphenyl)-3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidine-1-carboxamide
PubChem CID53194571
Molecular FormulaC24H31N5O2
Molecular Weight421.55 g/mol
Exact Mass421.25
IUPAC NameN-(4-methoxy-2-methylphenyl)-3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC(Cc3nc4cccnc4n3CC(C)C)C2)c(C)c1
InChIInChI=1S/C24H31N5O2/c1-16(2)14-29-22(26-21-6-5-10-25-23(21)29)13-18-9-11-28(15-18)24(30)27-20-8-7-19(31-4)12-17(20)3/h5-8,10,12,16,18H,9,11,13-15H2,1-4H3,(H,27,30)
InChIKeyOYDAHTWCYFMWRY-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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Related Compounds

3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-phenylpyrrolidine-1-carboxamide
CID 83272666
N-methyl-3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidine-1-carboxamide
CID 71835939
N-(2-methylpropyl)-3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidine-1-carboxamide
CID 83272706
(3S)-3-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 95112501
[(3R)-3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 95112513
N-(2,4-dimethoxyphenyl)-4-[2-(2-ethylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide
CID 46389548
N-(2,4-dimethylphenyl)-4-[2-(2-methylpropyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxamide
CID 46286729
2-[(1-methylpiperidin-3-yl)methyl]-3-(2-methylpropyl)imidazo[4,5-b]pyridine
CID 117164029
2-(3-methoxyphenyl)-1-[(3S)-3-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]ethanone
CID 95112419
1-[(3R)-3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]propan-1-one
CID 97429167
N-(3-methoxyphenyl)-3-[(2-methylimidazo[4,5-b]pyridin-3-yl)methyl]piperidine-1-carboxamide
CID 91904220
(3S)-3-amino-N-(4-methoxy-2-methylphenyl)piperidine-1-carboxamide
CID 125179914

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-methylphenyl)-3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-(4-methoxy-2-methylphenyl)-3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidine-1-carboxamide (CID 53194571) is N-(4-methoxy-2-methylphenyl)-3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(4-methoxy-2-methylphenyl)-3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-(4-methoxy-2-methylphenyl)-3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidine-1-carboxamide is COc1ccc(NC(=O)N2CCC(Cc3nc4cccnc4n3CC(C)C)C2)c(C)c1.
What is the InChIKey of N-(4-methoxy-2-methylphenyl)-3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidine-1-carboxamide?
The InChIKey is OYDAHTWCYFMWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O2/c1-16(2)14-29-22(26-21-6-5-10-25-23(21)29)13-18-9-11-28(15-18)24(30)27-20-8-7-19(31-4)12-17(20)3/h5-8,10,12,16,18H,9,11,13-15H2,1-4H3,(H,27,30).
What are the key properties of N-(4-methoxy-2-methylphenyl)-3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidine-1-carboxamide?
N-(4-methoxy-2-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-(4-methoxy-2-methylphenyl)-3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 53194571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).