7-[(2-chlorophenoxy)methyl]-1-cyclopropyl-2,3,4-trimethylpyrrolo[2,3-c]pyridine

C20H21ClN2O — CID 175250240

IUPAC7-[(2-chlorophenoxy)methyl]-1-cyclopropyl-2,3,4-trimethylpyrrolo[2,3-c]pyridine
SMILESCc1cnc(COc2ccccc2Cl)c2c1c(C)c(C)n2C1CC1
InChIInChI=1S/C20H21ClN2O/c1-12-10-22-17(11-24-18-7-5-4-6-16(18)21)20-19(12)13(2)14(3)23(20)15-8-9-15/h4-7,10,15H,8-9,11H2,1-3H3
InChIKeyVFQVCCOMKJJCHK-UHFFFAOYSA-N
MW340.85 g/mol
LogP5.53
Rot. Bonds4

About 7-[(2-chlorophenoxy)methyl]-1-cyclopropyl-2,3,4-trimethylpyrrolo[2,3-c]pyridine

7-[(2-chlorophenoxy)methyl]-1-cyclopropyl-2,3,4-trimethylpyrrolo[2,3-c]pyridine (PubChem CID 175250240) has the molecular formula C20H21ClN2O and a molecular weight of 340.85 g/mol. Its IUPAC name is 7-[(2-chlorophenoxy)methyl]-1-cyclopropyl-2,3,4-trimethylpyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name7-[(2-chlorophenoxy)methyl]-1-cyclopropyl-2,3,4-trimethylpyrrolo[2,3-c]pyridine
PubChem CID175250240
Molecular FormulaC20H21ClN2O
Molecular Weight340.85 g/mol
Exact Mass340.13
IUPAC Name7-[(2-chlorophenoxy)methyl]-1-cyclopropyl-2,3,4-trimethylpyrrolo[2,3-c]pyridine
SMILESCc1cnc(COc2ccccc2Cl)c2c1c(C)c(C)n2C1CC1
InChIInChI=1S/C20H21ClN2O/c1-12-10-22-17(11-24-18-7-5-4-6-16(18)21)20-19(12)13(2)14(3)23(20)15-8-9-15/h4-7,10,15H,8-9,11H2,1-3H3
InChIKeyVFQVCCOMKJJCHK-UHFFFAOYSA-N
XLogP5.53
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.85
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[(2-chlorophenoxy)methyl]-1-cyclopropyl-2,3,4-trimethylpyrrolo[2,3-c]pyridine?
The IUPAC name of 7-[(2-chlorophenoxy)methyl]-1-cyclopropyl-2,3,4-trimethylpyrrolo[2,3-c]pyridine (CID 175250240) is 7-[(2-chlorophenoxy)methyl]-1-cyclopropyl-2,3,4-trimethylpyrrolo[2,3-c]pyridine.
What is the SMILES notation for 7-[(2-chlorophenoxy)methyl]-1-cyclopropyl-2,3,4-trimethylpyrrolo[2,3-c]pyridine?
The canonical SMILES for 7-[(2-chlorophenoxy)methyl]-1-cyclopropyl-2,3,4-trimethylpyrrolo[2,3-c]pyridine is Cc1cnc(COc2ccccc2Cl)c2c1c(C)c(C)n2C1CC1.
What is the InChIKey of 7-[(2-chlorophenoxy)methyl]-1-cyclopropyl-2,3,4-trimethylpyrrolo[2,3-c]pyridine?
The InChIKey is VFQVCCOMKJJCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O/c1-12-10-22-17(11-24-18-7-5-4-6-16(18)21)20-19(12)13(2)14(3)23(20)15-8-9-15/h4-7,10,15H,8-9,11H2,1-3H3.
What are the key properties of 7-[(2-chlorophenoxy)methyl]-1-cyclopropyl-2,3,4-trimethylpyrrolo[2,3-c]pyridine?
7-[(2-chlorophenoxy)methyl]-1-cyclopropyl-2,3,4-trimethylpyrrolo[2,3-c]pyridine has a molecular weight of 340.85 g/mol, XLogP of 5.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-chlorophenoxy)methyl]-1-cyclopropyl-2,3,4-trimethylpyrrolo[2,3-c]pyridine is sourced from PubChem (CID 175250240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).