6-chloro-7-fluoro-5-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indole

C17H17ClFN3O2 — CID 164549318

IUPAC6-chloro-7-fluoro-5-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indole
SMILESCOc1cc2c(-c3cnn(C4CCCCO4)c3)c[nH]c2c(F)c1Cl
InChIInChI=1S/C17H17ClFN3O2/c1-23-13-6-11-12(8-20-17(11)16(19)15(13)18)10-7-21-22(9-10)14-4-2-3-5-24-14/h6-9,14,20H,2-5H2,1H3
InChIKeyDWSGUHPRTBFJOE-UHFFFAOYSA-N
MW349.79 g/mol
LogP4.53
Rot. Bonds3

About 6-chloro-7-fluoro-5-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indole

6-chloro-7-fluoro-5-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indole (PubChem CID 164549318) has the molecular formula C17H17ClFN3O2 and a molecular weight of 349.79 g/mol. Its IUPAC name is 6-chloro-7-fluoro-5-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indole.

Molecular Properties

Compound Name6-chloro-7-fluoro-5-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indole
PubChem CID164549318
Molecular FormulaC17H17ClFN3O2
Molecular Weight349.79 g/mol
Exact Mass349.10
IUPAC Name6-chloro-7-fluoro-5-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indole
SMILESCOc1cc2c(-c3cnn(C4CCCCO4)c3)c[nH]c2c(F)c1Cl
InChIInChI=1S/C17H17ClFN3O2/c1-23-13-6-11-12(8-20-17(11)16(19)15(13)18)10-7-21-22(9-10)14-4-2-3-5-24-14/h6-9,14,20H,2-5H2,1H3
InChIKeyDWSGUHPRTBFJOE-UHFFFAOYSA-N
XLogP4.53
TPSA52.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.79
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-chloro-7-fluoro-5-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indole 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

1-chloro-8-methoxy-7-(1,3,5-trimethylpyrazol-4-yl)-5H-pyrido[4,3-b]indole
CID 90388075
Indole, 3-(2-aminoethyl)-6-chloro-5-methoxy-
CID 18947310
N-[2-(6-chloro-7-fluoro-5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 20233221
N-[2-(6-chloro-7-fluoro-5-methoxy-1H-indol-3-yl)propyl]acetamide
CID 21263046
N-[2-[6-chloro-7-fluoro-5-[(2-methylpropan-2-yl)oxy]-1H-indol-3-yl]-3-methylbutyl]acetamide
CID 21263058
N-[2-(6-chloro-7-fluoro-5-methoxy-1H-indol-3-yl)-3,3-dimethylbutyl]formamide
CID 21263075
N-[2-(6-chloro-7-fluoro-5-propan-2-yloxy-1H-indol-3-yl)pentyl]propanamide
CID 21263126
N-[2-(6-chloro-5-ethoxy-7-fluoro-1H-indol-3-yl)butyl]acetamide
CID 21263161
2-(6-chloro-5-methoxy-1H-indol-3-yl)-N-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine
CID 58779111
4-(6-chloro-5-ethoxy-7-fluoro-1H-indol-3-yl)-N-ethylbutanamide
CID 67673376
N-[2-(6-chloro-5-ethoxy-1-ethyl-7-fluoroindol-3-yl)ethyl]acetamide
CID 67673380
6-(4-chloro-2-fluoro-3-methoxyphenyl)-3,4-dimethyl-1H-pyrrolo[3,2-c]pyridine
CID 68164485

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-fluoro-5-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indole?
The IUPAC name of 6-chloro-7-fluoro-5-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indole (CID 164549318) is 6-chloro-7-fluoro-5-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indole.
What is the SMILES notation for 6-chloro-7-fluoro-5-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indole?
The canonical SMILES for 6-chloro-7-fluoro-5-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indole is COc1cc2c(-c3cnn(C4CCCCO4)c3)c[nH]c2c(F)c1Cl.
What is the InChIKey of 6-chloro-7-fluoro-5-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indole?
The InChIKey is DWSGUHPRTBFJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN3O2/c1-23-13-6-11-12(8-20-17(11)16(19)15(13)18)10-7-21-22(9-10)14-4-2-3-5-24-14/h6-9,14,20H,2-5H2,1H3.
What are the key properties of 6-chloro-7-fluoro-5-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indole?
6-chloro-7-fluoro-5-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indole has a molecular weight of 349.79 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-fluoro-5-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indole is sourced from PubChem (CID 164549318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).