2-(3,4-dihydro-1H-isochromen-7-yl)-3-methylimidazo[4,5-c]pyridine

C16H15N3O — CID 167893785

IUPAC2-(3,4-dihydro-1H-isochromen-7-yl)-3-methylimidazo[4,5-c]pyridine
SMILESCn1c(-c2ccc3c(c2)COCC3)nc2ccncc21
InChIInChI=1S/C16H15N3O/c1-19-15-9-17-6-4-14(15)18-16(19)12-3-2-11-5-7-20-10-13(11)8-12/h2-4,6,8-9H,5,7,10H2,1H3
InChIKeyKFDNVBMDMGOHMN-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.71
Rot. Bonds1

About 2-(3,4-dihydro-1H-isochromen-7-yl)-3-methylimidazo[4,5-c]pyridine

2-(3,4-dihydro-1H-isochromen-7-yl)-3-methylimidazo[4,5-c]pyridine (PubChem CID 167893785) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isochromen-7-yl)-3-methylimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isochromen-7-yl)-3-methylimidazo[4,5-c]pyridine
PubChem CID167893785
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name2-(3,4-dihydro-1H-isochromen-7-yl)-3-methylimidazo[4,5-c]pyridine
SMILESCn1c(-c2ccc3c(c2)COCC3)nc2ccncc21
InChIInChI=1S/C16H15N3O/c1-19-15-9-17-6-4-14(15)18-16(19)12-3-2-11-5-7-20-10-13(11)8-12/h2-4,6,8-9H,5,7,10H2,1H3
InChIKeyKFDNVBMDMGOHMN-UHFFFAOYSA-N
XLogP2.71
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 5329342
Imidazopyridine 10d
CID 5329343
1-[2-(4-fluorophenyl)-3-(2-phenylmethoxypyrimidin-4-yl)imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylmethanamine
CID 44419899
6-(Methoxymethyl)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[2,1-a]isoquinoline
CID 11587799
N-[[2-(aminomethyl)-4-(methoxymethyl)phenyl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 21985109
1-[(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-3-(pyridin-3-ylmethoxy)-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]benzimidazole
CID 118867899
(Z)-4-methoxy-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylbut-2-en-1-one
CID 10716220
2-(2-Fluorophenyl)-5-[[4-(methoxymethyl)phenyl]methyl]imidazo[4,5-c]pyridine
CID 44427152
4-[3-(3,6-dihydro-2H-pyran-4-yl)pyrrolo[3,2-c]pyridin-1-yl]pyrimidin-2-amine
CID 71580835
2-(Methoxymethyl)-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[5,1-f][1,6]naphthyridine
CID 118708355
6-(4-Fluoro-2-methylphenyl)-1-(6-methoxy-3-pyridinyl)imidazo[4,5-c]pyridine
CID 164612200
1-[4-(Difluoromethoxy)phenyl]-6-(2,4-dimethylphenyl)imidazo[4,5-c]pyridine
CID 164617719

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isochromen-7-yl)-3-methylimidazo[4,5-c]pyridine?
The IUPAC name of 2-(3,4-dihydro-1H-isochromen-7-yl)-3-methylimidazo[4,5-c]pyridine (CID 167893785) is 2-(3,4-dihydro-1H-isochromen-7-yl)-3-methylimidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(3,4-dihydro-1H-isochromen-7-yl)-3-methylimidazo[4,5-c]pyridine?
The canonical SMILES for 2-(3,4-dihydro-1H-isochromen-7-yl)-3-methylimidazo[4,5-c]pyridine is Cn1c(-c2ccc3c(c2)COCC3)nc2ccncc21.
What is the InChIKey of 2-(3,4-dihydro-1H-isochromen-7-yl)-3-methylimidazo[4,5-c]pyridine?
The InChIKey is KFDNVBMDMGOHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-19-15-9-17-6-4-14(15)18-16(19)12-3-2-11-5-7-20-10-13(11)8-12/h2-4,6,8-9H,5,7,10H2,1H3.
What are the key properties of 2-(3,4-dihydro-1H-isochromen-7-yl)-3-methylimidazo[4,5-c]pyridine?
2-(3,4-dihydro-1H-isochromen-7-yl)-3-methylimidazo[4,5-c]pyridine has a molecular weight of 265.32 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isochromen-7-yl)-3-methylimidazo[4,5-c]pyridine is sourced from PubChem (CID 167893785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).