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

C25H34N6O2 — CID 53120831

IUPACN-(3-ethoxypropyl)-4-[[3-(4-ethylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide
SMILESCCOCCCNC(=O)N1CCN(Cc2nc3cccnc3n2-c2ccc(CC)cc2)CC1
InChIInChI=1S/C25H34N6O2/c1-3-20-8-10-21(11-9-20)31-23(28-22-7-5-12-26-24(22)31)19-29-14-16-30(17-15-29)25(32)27-13-6-18-33-4-2/h5,7-12H,3-4,6,13-19H2,1-2H3,(H,27,32)
InChIKeyFNVLDYNUCXJAOL-UHFFFAOYSA-N
MW450.59 g/mol
LogP3.24
Rot. Bonds9

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

N-(3-ethoxypropyl)-4-[[3-(4-ethylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide (PubChem CID 53120831) has the molecular formula C25H34N6O2 and a molecular weight of 450.59 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-4-[[3-(4-ethylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-4-[[3-(4-ethylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide
PubChem CID53120831
Molecular FormulaC25H34N6O2
Molecular Weight450.59 g/mol
Exact Mass450.27
IUPAC NameN-(3-ethoxypropyl)-4-[[3-(4-ethylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide
SMILESCCOCCCNC(=O)N1CCN(Cc2nc3cccnc3n2-c2ccc(CC)cc2)CC1
InChIInChI=1S/C25H34N6O2/c1-3-20-8-10-21(11-9-20)31-23(28-22-7-5-12-26-24(22)31)19-29-14-16-30(17-15-29)25(32)27-13-6-18-33-4-2/h5,7-12H,3-4,6,13-19H2,1-2H3,(H,27,32)
InChIKeyFNVLDYNUCXJAOL-UHFFFAOYSA-N
XLogP3.24
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.59
LogP ≤ 53.24
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-methoxypropyl)-4-[[3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide
CID 53022675
N-[(2S)-butan-2-yl]-4-[[3-(4-ethylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide
CID 95089700
N-[(4-fluorophenyl)methyl]-4-[(3-phenylimidazo[4,5-b]pyridin-2-yl)methyl]piperazine-1-carboxamide
CID 50830755
4-[[3-(3,5-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(2-phenylethyl)piperazine-1-carboxamide
CID 53022727
N-butan-2-yl-4-[[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide
CID 53022625
N-tert-butyl-4-[[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide
CID 53022630
N-butan-2-yl-4-[(3-phenylimidazo[4,5-b]pyridin-2-yl)methyl]piperazine-1-carboxamide
CID 50830761
ethyl (2R)-2-[[4-[[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carbonyl]amino]propanoate
CID 94128979
4-[[3-(3-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(3-methylbutyl)piperazine-1-carboxamide
CID 53085239
N-(2-chlorophenyl)-4-[[3-(4-ethoxyphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide
CID 53022633
methyl 2-[[4-[(3-phenylimidazo[4,5-b]pyridin-2-yl)methyl]piperazine-1-carbonyl]amino]benzoate
CID 53206051
2-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-3-(4-ethylphenyl)imidazo[4,5-b]pyridine
CID 46389100

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-4-[[3-(4-ethylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-4-[[3-(4-ethylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide (CID 53120831) is N-(3-ethoxypropyl)-4-[[3-(4-ethylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-4-[[3-(4-ethylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-4-[[3-(4-ethylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide is CCOCCCNC(=O)N1CCN(Cc2nc3cccnc3n2-c2ccc(CC)cc2)CC1.
What is the InChIKey of N-(3-ethoxypropyl)-4-[[3-(4-ethylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide?
The InChIKey is FNVLDYNUCXJAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6O2/c1-3-20-8-10-21(11-9-20)31-23(28-22-7-5-12-26-24(22)31)19-29-14-16-30(17-15-29)25(32)27-13-6-18-33-4-2/h5,7-12H,3-4,6,13-19H2,1-2H3,(H,27,32).
What are the key properties of N-(3-ethoxypropyl)-4-[[3-(4-ethylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide?
N-(3-ethoxypropyl)-4-[[3-(4-ethylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide has a molecular weight of 450.59 g/mol, XLogP of 3.24, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-4-[[3-(4-ethylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 53120831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).