1-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-c]pyridine

C17H13ClN4 — CID 90421911

IUPAC1-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-c]pyridine
SMILESCn1cc(-c2cc3ccncc3n2-c2ccc(Cl)cc2)cn1
InChIInChI=1S/C17H13ClN4/c1-21-11-13(9-20-21)16-8-12-6-7-19-10-17(12)22(16)15-4-2-14(18)3-5-15/h2-11H,1H3
InChIKeyIEGVEPFBWUMHFT-UHFFFAOYSA-N
MW308.77 g/mol
LogP4.08
Rot. Bonds2

About 1-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-c]pyridine

1-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-c]pyridine (PubChem CID 90421911) has the molecular formula C17H13ClN4 and a molecular weight of 308.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-c]pyridine
PubChem CID90421911
Molecular FormulaC17H13ClN4
Molecular Weight308.77 g/mol
Exact Mass308.08
IUPAC Name1-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-c]pyridine
SMILESCn1cc(-c2cc3ccncc3n2-c2ccc(Cl)cc2)cn1
InChIInChI=1S/C17H13ClN4/c1-21-11-13(9-20-21)16-8-12-6-7-19-10-17(12)22(16)15-4-2-14(18)3-5-15/h2-11H,1H3
InChIKeyIEGVEPFBWUMHFT-UHFFFAOYSA-N
XLogP4.08
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-c]pyridine?
The IUPAC name of 1-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-c]pyridine (CID 90421911) is 1-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-c]pyridine?
The canonical SMILES for 1-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-c]pyridine is Cn1cc(-c2cc3ccncc3n2-c2ccc(Cl)cc2)cn1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-c]pyridine?
The InChIKey is IEGVEPFBWUMHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4/c1-21-11-13(9-20-21)16-8-12-6-7-19-10-17(12)22(16)15-4-2-14(18)3-5-15/h2-11H,1H3.
What are the key properties of 1-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-c]pyridine?
1-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-c]pyridine has a molecular weight of 308.77 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 90421911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).