2-(5-methoxycyclohepta-1,6-dien-1-yl)-1H-imidazo[4,5-b]pyridine-5-carboxamide

C15H16N4O2 — CID 142235766

IUPAC2-(5-methoxycyclohepta-1,6-dien-1-yl)-1H-imidazo[4,5-b]pyridine-5-carboxamide
SMILESCOC1C=CC(c2nc3nc(C(N)=O)ccc3[nH]2)=CCC1
InChIInChI=1S/C15H16N4O2/c1-21-10-4-2-3-9(5-6-10)14-18-12-8-7-11(13(16)20)17-15(12)19-14/h3,5-8,10H,2,4H2,1H3,(H2,16,20)(H,17,18,19)
InChIKeyGSOWXYCBPXMNRR-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.81
Rot. Bonds3

About 2-(5-methoxycyclohepta-1,6-dien-1-yl)-1H-imidazo[4,5-b]pyridine-5-carboxamide

2-(5-methoxycyclohepta-1,6-dien-1-yl)-1H-imidazo[4,5-b]pyridine-5-carboxamide (PubChem CID 142235766) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-(5-methoxycyclohepta-1,6-dien-1-yl)-1H-imidazo[4,5-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name2-(5-methoxycyclohepta-1,6-dien-1-yl)-1H-imidazo[4,5-b]pyridine-5-carboxamide
PubChem CID142235766
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name2-(5-methoxycyclohepta-1,6-dien-1-yl)-1H-imidazo[4,5-b]pyridine-5-carboxamide
SMILESCOC1C=CC(c2nc3nc(C(N)=O)ccc3[nH]2)=CCC1
InChIInChI=1S/C15H16N4O2/c1-21-10-4-2-3-9(5-6-10)14-18-12-8-7-11(13(16)20)17-15(12)19-14/h3,5-8,10H,2,4H2,1H3,(H2,16,20)(H,17,18,19)
InChIKeyGSOWXYCBPXMNRR-UHFFFAOYSA-N
XLogP1.81
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-2-methylcyclohepta-1,3-diene
CID 70331714
2-[[1-(cyanomethyl)cyclopropyl]methyl]-1H-imidazo[4,5-b]pyridine-5-carboxamide
CID 164522178
methyl 2-(1,3-dihydro-2-benzofuran-4-yl)-1H-imidazo[4,5-b]pyridine-5-carboxylate
CID 167976195
2-methylsulfanyl-1H-imidazo[4,5-b]pyridine-5-carboxylic acid
CID 84676691
2-(4-methoxycyclohexyl)-1H-benzimidazole-4-carboxamide
CID 10221158
4-[4-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]benzoic acid
CID 167974159
2-[5-(difluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5-carboxylic acid
CID 167941496
6-[(3-methoxycyclohexyl)amino]pyridazine-3-carboxamide
CID 133399457
5,8-dimethoxyquinoline-2-carboxamide
CID 82242899
6-methoxypyridine-2-carboxamide;hydrochloride
CID 172737528
5-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)benzene-1,3-diol
CID 107704555
2-[4-[4-[3-fluoro-4-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-5-methylphenyl]phenyl]cyclohexyl]acetic acid
CID 123955724

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxycyclohepta-1,6-dien-1-yl)-1H-imidazo[4,5-b]pyridine-5-carboxamide?
The IUPAC name of 2-(5-methoxycyclohepta-1,6-dien-1-yl)-1H-imidazo[4,5-b]pyridine-5-carboxamide (CID 142235766) is 2-(5-methoxycyclohepta-1,6-dien-1-yl)-1H-imidazo[4,5-b]pyridine-5-carboxamide.
What is the SMILES notation for 2-(5-methoxycyclohepta-1,6-dien-1-yl)-1H-imidazo[4,5-b]pyridine-5-carboxamide?
The canonical SMILES for 2-(5-methoxycyclohepta-1,6-dien-1-yl)-1H-imidazo[4,5-b]pyridine-5-carboxamide is COC1C=CC(c2nc3nc(C(N)=O)ccc3[nH]2)=CCC1.
What is the InChIKey of 2-(5-methoxycyclohepta-1,6-dien-1-yl)-1H-imidazo[4,5-b]pyridine-5-carboxamide?
The InChIKey is GSOWXYCBPXMNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-21-10-4-2-3-9(5-6-10)14-18-12-8-7-11(13(16)20)17-15(12)19-14/h3,5-8,10H,2,4H2,1H3,(H2,16,20)(H,17,18,19).
What are the key properties of 2-(5-methoxycyclohepta-1,6-dien-1-yl)-1H-imidazo[4,5-b]pyridine-5-carboxamide?
2-(5-methoxycyclohepta-1,6-dien-1-yl)-1H-imidazo[4,5-b]pyridine-5-carboxamide has a molecular weight of 284.32 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxycyclohepta-1,6-dien-1-yl)-1H-imidazo[4,5-b]pyridine-5-carboxamide is sourced from PubChem (CID 142235766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).