1-(cyclopropylmethyl)-2,3-dimethyl-7-naphthalen-2-ylpyrrolo[2,3-c]pyridine

C23H22N2 — CID 67141569

IUPAC1-(cyclopropylmethyl)-2,3-dimethyl-7-naphthalen-2-ylpyrrolo[2,3-c]pyridine
SMILESCc1c(C)n(CC2CC2)c2c(-c3ccc4ccccc4c3)nccc12
InChIInChI=1S/C23H22N2/c1-15-16(2)25(14-17-7-8-17)23-21(15)11-12-24-22(23)20-10-9-18-5-3-4-6-19(18)13-20/h3-6,9-13,17H,7-8,14H2,1-2H3
InChIKeyBHJZTGRQTFQGLZ-UHFFFAOYSA-N
MW326.44 g/mol
LogP5.88
Rot. Bonds3

About 1-(cyclopropylmethyl)-2,3-dimethyl-7-naphthalen-2-ylpyrrolo[2,3-c]pyridine

1-(cyclopropylmethyl)-2,3-dimethyl-7-naphthalen-2-ylpyrrolo[2,3-c]pyridine (PubChem CID 67141569) has the molecular formula C23H22N2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-2,3-dimethyl-7-naphthalen-2-ylpyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-2,3-dimethyl-7-naphthalen-2-ylpyrrolo[2,3-c]pyridine
PubChem CID67141569
Molecular FormulaC23H22N2
Molecular Weight326.44 g/mol
Exact Mass326.18
IUPAC Name1-(cyclopropylmethyl)-2,3-dimethyl-7-naphthalen-2-ylpyrrolo[2,3-c]pyridine
SMILESCc1c(C)n(CC2CC2)c2c(-c3ccc4ccccc4c3)nccc12
InChIInChI=1S/C23H22N2/c1-15-16(2)25(14-17-7-8-17)23-21(15)11-12-24-22(23)20-10-9-18-5-3-4-6-19(18)13-20/h3-6,9-13,17H,7-8,14H2,1-2H3
InChIKeyBHJZTGRQTFQGLZ-UHFFFAOYSA-N
XLogP5.88
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.44
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-2,3-dimethyl-7-naphthalen-2-ylpyrrolo[2,3-c]pyridine?
The IUPAC name of 1-(cyclopropylmethyl)-2,3-dimethyl-7-naphthalen-2-ylpyrrolo[2,3-c]pyridine (CID 67141569) is 1-(cyclopropylmethyl)-2,3-dimethyl-7-naphthalen-2-ylpyrrolo[2,3-c]pyridine.
What is the SMILES notation for 1-(cyclopropylmethyl)-2,3-dimethyl-7-naphthalen-2-ylpyrrolo[2,3-c]pyridine?
The canonical SMILES for 1-(cyclopropylmethyl)-2,3-dimethyl-7-naphthalen-2-ylpyrrolo[2,3-c]pyridine is Cc1c(C)n(CC2CC2)c2c(-c3ccc4ccccc4c3)nccc12.
What is the InChIKey of 1-(cyclopropylmethyl)-2,3-dimethyl-7-naphthalen-2-ylpyrrolo[2,3-c]pyridine?
The InChIKey is BHJZTGRQTFQGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2/c1-15-16(2)25(14-17-7-8-17)23-21(15)11-12-24-22(23)20-10-9-18-5-3-4-6-19(18)13-20/h3-6,9-13,17H,7-8,14H2,1-2H3.
What are the key properties of 1-(cyclopropylmethyl)-2,3-dimethyl-7-naphthalen-2-ylpyrrolo[2,3-c]pyridine?
1-(cyclopropylmethyl)-2,3-dimethyl-7-naphthalen-2-ylpyrrolo[2,3-c]pyridine has a molecular weight of 326.44 g/mol, XLogP of 5.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-2,3-dimethyl-7-naphthalen-2-ylpyrrolo[2,3-c]pyridine is sourced from PubChem (CID 67141569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).