7-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridine-5-carbonitrile

C19H18N4 — CID 67141782

IUPAC7-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridine-5-carbonitrile
SMILESCc1[nH]c2c(N3CCc4ccccc4C3)nc(C#N)cc2c1C
InChIInChI=1S/C19H18N4/c1-12-13(2)21-18-17(12)9-16(10-20)22-19(18)23-8-7-14-5-3-4-6-15(14)11-23/h3-6,9,21H,7-8,11H2,1-2H3
InChIKeyIUOFHWPDQRCSLC-UHFFFAOYSA-N
MW302.38 g/mol
LogP3.61
Rot. Bonds1

About 7-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridine-5-carbonitrile

7-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridine-5-carbonitrile (PubChem CID 67141782) has the molecular formula C19H18N4 and a molecular weight of 302.38 g/mol. Its IUPAC name is 7-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridine-5-carbonitrile.

Molecular Properties

Compound Name7-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridine-5-carbonitrile
PubChem CID67141782
Molecular FormulaC19H18N4
Molecular Weight302.38 g/mol
Exact Mass302.15
IUPAC Name7-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridine-5-carbonitrile
SMILESCc1[nH]c2c(N3CCc4ccccc4C3)nc(C#N)cc2c1C
InChIInChI=1S/C19H18N4/c1-12-13(2)21-18-17(12)9-16(10-20)22-19(18)23-8-7-14-5-3-4-6-15(14)11-23/h3-6,9,21H,7-8,11H2,1-2H3
InChIKeyIUOFHWPDQRCSLC-UHFFFAOYSA-N
XLogP3.61
TPSA55.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridine-5-carbonitrile?
The IUPAC name of 7-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridine-5-carbonitrile (CID 67141782) is 7-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridine-5-carbonitrile.
What is the SMILES notation for 7-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridine-5-carbonitrile?
The canonical SMILES for 7-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridine-5-carbonitrile is Cc1[nH]c2c(N3CCc4ccccc4C3)nc(C#N)cc2c1C.
What is the InChIKey of 7-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridine-5-carbonitrile?
The InChIKey is IUOFHWPDQRCSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4/c1-12-13(2)21-18-17(12)9-16(10-20)22-19(18)23-8-7-14-5-3-4-6-15(14)11-23/h3-6,9,21H,7-8,11H2,1-2H3.
What are the key properties of 7-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridine-5-carbonitrile?
7-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridine-5-carbonitrile has a molecular weight of 302.38 g/mol, XLogP of 3.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridine-5-carbonitrile is sourced from PubChem (CID 67141782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).