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

C21H24BrN5O4 — CID 59742989

IUPAC5-bromo-N-[3-(3-methoxypropyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]furan-2-carboxamide
SMILESCOCCCn1c(NC(=O)c2ccc(Br)o2)nc2cc(C(=O)N3CCCCC3)cnc21
InChIInChI=1S/C21H24BrN5O4/c1-30-11-5-10-27-18-15(24-21(27)25-19(28)16-6-7-17(22)31-16)12-14(13-23-18)20(29)26-8-3-2-4-9-26/h6-7,12-13H,2-5,8-11H2,1H3,(H,24,25,28)
InChIKeyVPKHLEUJZGNWHC-UHFFFAOYSA-N
MW490.36 g/mol
LogP3.70
Rot. Bonds7

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

5-bromo-N-[3-(3-methoxypropyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]furan-2-carboxamide (PubChem CID 59742989) has the molecular formula C21H24BrN5O4 and a molecular weight of 490.36 g/mol. Its IUPAC name is 5-bromo-N-[3-(3-methoxypropyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[3-(3-methoxypropyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]furan-2-carboxamide
PubChem CID59742989
Molecular FormulaC21H24BrN5O4
Molecular Weight490.36 g/mol
Exact Mass489.10
IUPAC Name5-bromo-N-[3-(3-methoxypropyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]furan-2-carboxamide
SMILESCOCCCn1c(NC(=O)c2ccc(Br)o2)nc2cc(C(=O)N3CCCCC3)cnc21
InChIInChI=1S/C21H24BrN5O4/c1-30-11-5-10-27-18-15(24-21(27)25-19(28)16-6-7-17(22)31-16)12-14(13-23-18)20(29)26-8-3-2-4-9-26/h6-7,12-13H,2-5,8-11H2,1H3,(H,24,25,28)
InChIKeyVPKHLEUJZGNWHC-UHFFFAOYSA-N
XLogP3.70
TPSA102.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.36
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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

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Related Compounds

N-[3-(3-methoxypropyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]furan-2-carboxamide
CID 59742882
3-ethynyl-N-[3-(3-methoxypropyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide
CID 15950359
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-[(3S)-3-methoxypiperidine-1-carbonyl]-3-(3-methoxypropyl)imidazo[4,5-b]pyridin-2-yl]benzamide
CID 70318198
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-[3-[(4-methoxyphenyl)methyl]-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide
CID 70317368
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-cyano-N-[3-(3-methoxypropyl)-6-[(3R)-3-methoxypyrrolidine-1-carbonyl]imidazo[4,5-b]pyridin-2-yl]benzamide
CID 59742963
3-amino-N-[3-(3-methoxypropyl)-6-(2-methylpyrrolidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide
CID 70318294
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
3-cyano-N-[3-[2-(methanesulfonamido)ethyl]-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide
CID 59742994

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-(3-methoxypropyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[3-(3-methoxypropyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]furan-2-carboxamide (CID 59742989) is 5-bromo-N-[3-(3-methoxypropyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[3-(3-methoxypropyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[3-(3-methoxypropyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]furan-2-carboxamide is COCCCn1c(NC(=O)c2ccc(Br)o2)nc2cc(C(=O)N3CCCCC3)cnc21.
What is the InChIKey of 5-bromo-N-[3-(3-methoxypropyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]furan-2-carboxamide?
The InChIKey is VPKHLEUJZGNWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24BrN5O4/c1-30-11-5-10-27-18-15(24-21(27)25-19(28)16-6-7-17(22)31-16)12-14(13-23-18)20(29)26-8-3-2-4-9-26/h6-7,12-13H,2-5,8-11H2,1H3,(H,24,25,28).
What are the key properties of 5-bromo-N-[3-(3-methoxypropyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]furan-2-carboxamide?
5-bromo-N-[3-(3-methoxypropyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]furan-2-carboxamide has a molecular weight of 490.36 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-(3-methoxypropyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]furan-2-carboxamide is sourced from PubChem (CID 59742989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).