5-chloro-1-(cyclopropylmethyl)-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridine

C20H20ClFN2O — CID 11617419

IUPAC5-chloro-1-(cyclopropylmethyl)-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridine
SMILESCc1c(C)n(CC2CC2)c2c(OCc3ccc(F)cc3)nc(Cl)cc12
InChIInChI=1S/C20H20ClFN2O/c1-12-13(2)24(10-14-3-4-14)19-17(12)9-18(21)23-20(19)25-11-15-5-7-16(22)8-6-15/h5-9,14H,3-4,10-11H2,1-2H3
InChIKeyMWOUSUGQYPLKRN-UHFFFAOYSA-N
MW358.84 g/mol
LogP5.43
Rot. Bonds5

About 5-chloro-1-(cyclopropylmethyl)-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridine

5-chloro-1-(cyclopropylmethyl)-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridine (PubChem CID 11617419) has the molecular formula C20H20ClFN2O and a molecular weight of 358.84 g/mol. Its IUPAC name is 5-chloro-1-(cyclopropylmethyl)-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name5-chloro-1-(cyclopropylmethyl)-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridine
PubChem CID11617419
Molecular FormulaC20H20ClFN2O
Molecular Weight358.84 g/mol
Exact Mass358.12
IUPAC Name5-chloro-1-(cyclopropylmethyl)-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridine
SMILESCc1c(C)n(CC2CC2)c2c(OCc3ccc(F)cc3)nc(Cl)cc12
InChIInChI=1S/C20H20ClFN2O/c1-12-13(2)24(10-14-3-4-14)19-17(12)9-18(21)23-20(19)25-11-15-5-7-16(22)8-6-15/h5-9,14H,3-4,10-11H2,1-2H3
InChIKeyMWOUSUGQYPLKRN-UHFFFAOYSA-N
XLogP5.43
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.84
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-chloro-1-(cyclopropylmethyl)-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-7-[(4-fluorophenyl)methoxy]-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine
CID 11640443
3-[[5-chloro-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridin-1-yl]methyl]benzonitrile
CID 11495445
1-(cyclopropylmethyl)-7-[(4-fluorophenyl)methyl-methylamino]-2,3-dimethylpyrrolo[2,3-c]pyridine-5-carbonitrile
CID 67143080
1-(cyclopropylmethyl)-7-[(2,4-difluorophenoxy)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine;hydrochloride
CID 11530976
1-benzyl-5-chloro-N-[(4-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-7-amine;hydrochloride
CID 86615270
7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-propylpyrrolo[2,3-c]pyridine;methanesulfonic acid
CID 87894529
7-[(4-chlorophenyl)methoxy]-1-(1,3-dioxolan-2-ylmethyl)-2,3-dimethylpyrrolo[3,2-b]pyridine
CID 11718476
7-[(4-chlorophenyl)methoxy]-1-(1,3-dioxolan-2-ylmethyl)-2,3-dimethylpyrrolo[3,2-b]pyridine;hydrochloride
CID 11718475
8-[(4-fluorophenyl)methoxy]-11,12-dimethyl-10-prop-2-enyl-3,5-dioxa-4λ6-thia-7,10-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),7,11-tetraene 4,4-dioxide
CID 142681055
7-[(4-chlorophenoxy)methyl]-1-[(4-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine
CID 11495715
1-(cyclopropylmethyl)-2,3-dimethyl-7-naphthalen-2-ylpyrrolo[2,3-c]pyridine
CID 67141569
5-chloro-1-[(3-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine
CID 141136075

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(cyclopropylmethyl)-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridine?
The IUPAC name of 5-chloro-1-(cyclopropylmethyl)-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridine (CID 11617419) is 5-chloro-1-(cyclopropylmethyl)-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridine.
What is the SMILES notation for 5-chloro-1-(cyclopropylmethyl)-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridine?
The canonical SMILES for 5-chloro-1-(cyclopropylmethyl)-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridine is Cc1c(C)n(CC2CC2)c2c(OCc3ccc(F)cc3)nc(Cl)cc12.
What is the InChIKey of 5-chloro-1-(cyclopropylmethyl)-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridine?
The InChIKey is MWOUSUGQYPLKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN2O/c1-12-13(2)24(10-14-3-4-14)19-17(12)9-18(21)23-20(19)25-11-15-5-7-16(22)8-6-15/h5-9,14H,3-4,10-11H2,1-2H3.
What are the key properties of 5-chloro-1-(cyclopropylmethyl)-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridine?
5-chloro-1-(cyclopropylmethyl)-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridine has a molecular weight of 358.84 g/mol, XLogP of 5.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(cyclopropylmethyl)-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridine is sourced from PubChem (CID 11617419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).