(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone

C19H20N4O — CID 75499937

IUPAC(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone
SMILESCCC1c2ccccc2CCN1C(=O)c1cnc2c(c1)ncn2C
InChIInChI=1S/C19H20N4O/c1-3-17-15-7-5-4-6-13(15)8-9-23(17)19(24)14-10-16-18(20-11-14)22(2)12-21-16/h4-7,10-12,17H,3,8-9H2,1-2H3
InChIKeyVHVWGFWFDZKHGZ-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.12
Rot. Bonds2

About (1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone

(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone (PubChem CID 75499937) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is (1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone.

Molecular Properties

Compound Name(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone
PubChem CID75499937
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone
SMILESCCC1c2ccccc2CCN1C(=O)c1cnc2c(c1)ncn2C
InChIInChI=1S/C19H20N4O/c1-3-17-15-7-5-4-6-13(15)8-9-23(17)19(24)14-10-16-18(20-11-14)22(2)12-21-16/h4-7,10-12,17H,3,8-9H2,1-2H3
InChIKeyVHVWGFWFDZKHGZ-UHFFFAOYSA-N
XLogP3.12
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone?
The IUPAC name of (1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone (CID 75499937) is (1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone.
What is the SMILES notation for (1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone?
The canonical SMILES for (1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone is CCC1c2ccccc2CCN1C(=O)c1cnc2c(c1)ncn2C.
What is the InChIKey of (1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone?
The InChIKey is VHVWGFWFDZKHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-3-17-15-7-5-4-6-13(15)8-9-23(17)19(24)14-10-16-18(20-11-14)22(2)12-21-16/h4-7,10-12,17H,3,8-9H2,1-2H3.
What are the key properties of (1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone?
(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone has a molecular weight of 320.40 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone is sourced from PubChem (CID 75499937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).