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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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).