1-benzyl-3-(2-methylpyrimidin-4-yl)pyrrolo[2,3-c]pyridine

C19H16N4 — CID 118735338

IUPAC1-benzyl-3-(2-methylpyrimidin-4-yl)pyrrolo[2,3-c]pyridine
SMILESCc1nccc(-c2cn(Cc3ccccc3)c3cnccc23)n1
InChIInChI=1S/C19H16N4/c1-14-21-10-8-18(22-14)17-13-23(12-15-5-3-2-4-6-15)19-11-20-9-7-16(17)19/h2-11,13H,12H2,1H3
InChIKeyCZCUSHJQJWKYTD-UHFFFAOYSA-N
MW300.37 g/mol
LogP3.85
Rot. Bonds3

About 1-benzyl-3-(2-methylpyrimidin-4-yl)pyrrolo[2,3-c]pyridine

1-benzyl-3-(2-methylpyrimidin-4-yl)pyrrolo[2,3-c]pyridine (PubChem CID 118735338) has the molecular formula C19H16N4 and a molecular weight of 300.37 g/mol. Its IUPAC name is 1-benzyl-3-(2-methylpyrimidin-4-yl)pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name1-benzyl-3-(2-methylpyrimidin-4-yl)pyrrolo[2,3-c]pyridine
PubChem CID118735338
Molecular FormulaC19H16N4
Molecular Weight300.37 g/mol
Exact Mass300.14
IUPAC Name1-benzyl-3-(2-methylpyrimidin-4-yl)pyrrolo[2,3-c]pyridine
SMILESCc1nccc(-c2cn(Cc3ccccc3)c3cnccc23)n1
InChIInChI=1S/C19H16N4/c1-14-21-10-8-18(22-14)17-13-23(12-15-5-3-2-4-6-15)19-11-20-9-7-16(17)19/h2-11,13H,12H2,1H3
InChIKeyCZCUSHJQJWKYTD-UHFFFAOYSA-N
XLogP3.85
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2-methylpyrimidin-4-yl)pyrrolo[2,3-c]pyridine?
The IUPAC name of 1-benzyl-3-(2-methylpyrimidin-4-yl)pyrrolo[2,3-c]pyridine (CID 118735338) is 1-benzyl-3-(2-methylpyrimidin-4-yl)pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 1-benzyl-3-(2-methylpyrimidin-4-yl)pyrrolo[2,3-c]pyridine?
The canonical SMILES for 1-benzyl-3-(2-methylpyrimidin-4-yl)pyrrolo[2,3-c]pyridine is Cc1nccc(-c2cn(Cc3ccccc3)c3cnccc23)n1.
What is the InChIKey of 1-benzyl-3-(2-methylpyrimidin-4-yl)pyrrolo[2,3-c]pyridine?
The InChIKey is CZCUSHJQJWKYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4/c1-14-21-10-8-18(22-14)17-13-23(12-15-5-3-2-4-6-15)19-11-20-9-7-16(17)19/h2-11,13H,12H2,1H3.
What are the key properties of 1-benzyl-3-(2-methylpyrimidin-4-yl)pyrrolo[2,3-c]pyridine?
1-benzyl-3-(2-methylpyrimidin-4-yl)pyrrolo[2,3-c]pyridine has a molecular weight of 300.37 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2-methylpyrimidin-4-yl)pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 118735338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).