N-(3-methoxypropyl)-4-[[3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide

C23H30N6O2 — CID 53022675

IUPACN-(3-methoxypropyl)-4-[[3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide
SMILESCOCCCNC(=O)N1CCN(Cc2nc3cccnc3n2-c2ccc(C)cc2)CC1
InChIInChI=1S/C23H30N6O2/c1-18-6-8-19(9-7-18)29-21(26-20-5-3-10-24-22(20)29)17-27-12-14-28(15-13-27)23(30)25-11-4-16-31-2/h3,5-10H,4,11-17H2,1-2H3,(H,25,30)
InChIKeyOVYRZBHJGLUZJP-UHFFFAOYSA-N
MW422.53 g/mol
LogP2.59
Rot. Bonds7

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

N-(3-methoxypropyl)-4-[[3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide (PubChem CID 53022675) has the molecular formula C23H30N6O2 and a molecular weight of 422.53 g/mol. Its IUPAC name is N-(3-methoxypropyl)-4-[[3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-4-[[3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide
PubChem CID53022675
Molecular FormulaC23H30N6O2
Molecular Weight422.53 g/mol
Exact Mass422.24
IUPAC NameN-(3-methoxypropyl)-4-[[3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide
SMILESCOCCCNC(=O)N1CCN(Cc2nc3cccnc3n2-c2ccc(C)cc2)CC1
InChIInChI=1S/C23H30N6O2/c1-18-6-8-19(9-7-18)29-21(26-20-5-3-10-24-22(20)29)17-27-12-14-28(15-13-27)23(30)25-11-4-16-31-2/h3,5-10H,4,11-17H2,1-2H3,(H,25,30)
InChIKeyOVYRZBHJGLUZJP-UHFFFAOYSA-N
XLogP2.59
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-ethoxypropyl)-4-[[3-(4-ethylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide
CID 53120831
N-(2-methoxy-5-methylphenyl)-4-[[3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide
CID 53022682
4-[[3-(3,5-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(2-phenylethyl)piperazine-1-carboxamide
CID 53022727
N-tert-butyl-4-[[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide
CID 53022630
4-[[3-(3,5-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 53022709
N-(3-methoxypropyl)-3-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide
CID 53186934
N-butan-2-yl-4-[[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide
CID 53022625
2-[(4-ethylsulfonylpiperazin-1-yl)methyl]-3-(4-methylphenyl)imidazo[4,5-b]pyridine
CID 50830738
ethyl (2R)-2-[[4-[[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carbonyl]amino]propanoate
CID 94128979
methyl 2-[[4-[(3-phenylimidazo[4,5-b]pyridin-2-yl)methyl]piperazine-1-carbonyl]amino]benzoate
CID 53206051
4-[[3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 53120860
3-(4-methylphenyl)-2-(piperazin-1-ylmethyl)imidazo[4,5-b]pyridine
CID 53299080

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-4-[[3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-4-[[3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide (CID 53022675) is N-(3-methoxypropyl)-4-[[3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-4-[[3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-4-[[3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide is COCCCNC(=O)N1CCN(Cc2nc3cccnc3n2-c2ccc(C)cc2)CC1.
What is the InChIKey of N-(3-methoxypropyl)-4-[[3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide?
The InChIKey is OVYRZBHJGLUZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O2/c1-18-6-8-19(9-7-18)29-21(26-20-5-3-10-24-22(20)29)17-27-12-14-28(15-13-27)23(30)25-11-4-16-31-2/h3,5-10H,4,11-17H2,1-2H3,(H,25,30).
What are the key properties of N-(3-methoxypropyl)-4-[[3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide?
N-(3-methoxypropyl)-4-[[3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide has a molecular weight of 422.53 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-4-[[3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 53022675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).