N-[3-(3-methoxypropyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]furan-2-carboxamide

C21H25N5O4 — CID 59742882

IUPACN-[3-(3-methoxypropyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]furan-2-carboxamide
SMILESCOCCCn1c(NC(=O)c2ccco2)nc2cc(C(=O)N3CCCCC3)cnc21
InChIInChI=1S/C21H25N5O4/c1-29-11-6-10-26-18-16(23-21(26)24-19(27)17-7-5-12-30-17)13-15(14-22-18)20(28)25-8-3-2-4-9-25/h5,7,12-14H,2-4,6,8-11H2,1H3,(H,23,24,27)
InChIKeyLJKVSCHUGXJYCB-UHFFFAOYSA-N
MW411.46 g/mol
LogP2.94
Rot. Bonds7

About N-[3-(3-methoxypropyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]furan-2-carboxamide

N-[3-(3-methoxypropyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]furan-2-carboxamide (PubChem CID 59742882) has the molecular formula C21H25N5O4 and a molecular weight of 411.46 g/mol. Its IUPAC name is N-[3-(3-methoxypropyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3-methoxypropyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]furan-2-carboxamide
PubChem CID59742882
Molecular FormulaC21H25N5O4
Molecular Weight411.46 g/mol
Exact Mass411.19
IUPAC NameN-[3-(3-methoxypropyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]furan-2-carboxamide
SMILESCOCCCn1c(NC(=O)c2ccco2)nc2cc(C(=O)N3CCCCC3)cnc21
InChIInChI=1S/C21H25N5O4/c1-29-11-6-10-26-18-16(23-21(26)24-19(27)17-7-5-12-30-17)13-15(14-22-18)20(28)25-8-3-2-4-9-25/h5,7,12-14H,2-4,6,8-11H2,1H3,(H,23,24,27)
InChIKeyLJKVSCHUGXJYCB-UHFFFAOYSA-N
XLogP2.94
TPSA102.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[3-(3-methoxypropyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N-[3-(3-methoxypropyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]furan-2-carboxamide
CID 59742989
3-ethynyl-N-[3-(3-methoxypropyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide
CID 15950359
3-amino-N-[6-(4-hydroxypiperidine-1-carbonyl)-3-(3-methoxypropyl)imidazo[4,5-b]pyridin-2-yl]benzamide
CID 70319496
3-amino-N-[6-(3-hydroxypiperidine-1-carbonyl)-3-(3-methoxypropyl)imidazo[4,5-b]pyridin-2-yl]benzamide
CID 70318590
3-amino-N-[6-(3,5-dimethylpiperidine-1-carbonyl)-3-(3-methoxypropyl)imidazo[4,5-b]pyridin-2-yl]benzamide
CID 70319093
3-amino-N-[6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-(3-methoxypropyl)imidazo[4,5-b]pyridin-2-yl]benzamide
CID 70318588
3-amino-N-[3-[(4-methoxyphenyl)methyl]-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide
CID 70317368
3-amino-N-[3-(3-methoxypropyl)-6-(2-methylpyrrolidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide
CID 70318294
3-cyano-N-[3-[2-(methanesulfonamido)ethyl]-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide
CID 59742994
3-cyano-N-[3-(3-methoxypropyl)-6-[(3R)-3-methoxypyrrolidine-1-carbonyl]imidazo[4,5-b]pyridin-2-yl]benzamide
CID 59742963
3-cyano-N-[6-[3-(dimethylamino)pyrrolidine-1-carbonyl]-3-(3-methoxypropyl)imidazo[4,5-b]pyridin-2-yl]benzamide
CID 69105372
3-cyano-N-[3-(3-methoxypropyl)-6-(2-methylpyrrolidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide
CID 59742912

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methoxypropyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]furan-2-carboxamide?
The IUPAC name of N-[3-(3-methoxypropyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]furan-2-carboxamide (CID 59742882) is N-[3-(3-methoxypropyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[3-(3-methoxypropyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[3-(3-methoxypropyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]furan-2-carboxamide is COCCCn1c(NC(=O)c2ccco2)nc2cc(C(=O)N3CCCCC3)cnc21.
What is the InChIKey of N-[3-(3-methoxypropyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]furan-2-carboxamide?
The InChIKey is LJKVSCHUGXJYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O4/c1-29-11-6-10-26-18-16(23-21(26)24-19(27)17-7-5-12-30-17)13-15(14-22-18)20(28)25-8-3-2-4-9-25/h5,7,12-14H,2-4,6,8-11H2,1H3,(H,23,24,27).
What are the key properties of N-[3-(3-methoxypropyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]furan-2-carboxamide?
N-[3-(3-methoxypropyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]furan-2-carboxamide has a molecular weight of 411.46 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methoxypropyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]furan-2-carboxamide is sourced from PubChem (CID 59742882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).