2-[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]ethanol

C17H17Cl2N3O — CID 170426848

IUPAC2-[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]ethanol
SMILESOCCC1CCc2c(-c3cn[nH]c3)c3ccc(Cl)c(Cl)c3n2C1
InChIInChI=1S/C17H17Cl2N3O/c18-13-3-2-12-15(11-7-20-21-8-11)14-4-1-10(5-6-23)9-22(14)17(12)16(13)19/h2-3,7-8,10,23H,1,4-6,9H2,(H,20,21)
InChIKeyXGPZOWPFWCOHGR-UHFFFAOYSA-N
MW350.25 g/mol
LogP4.28
Rot. Bonds3

About 2-[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]ethanol

2-[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]ethanol (PubChem CID 170426848) has the molecular formula C17H17Cl2N3O and a molecular weight of 350.25 g/mol. Its IUPAC name is 2-[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]ethanol.

Molecular Properties

Compound Name2-[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]ethanol
PubChem CID170426848
Molecular FormulaC17H17Cl2N3O
Molecular Weight350.25 g/mol
Exact Mass349.07
IUPAC Name2-[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]ethanol
SMILESOCCC1CCc2c(-c3cn[nH]c3)c3ccc(Cl)c(Cl)c3n2C1
InChIInChI=1S/C17H17Cl2N3O/c18-13-3-2-12-15(11-7-20-21-8-11)14-4-1-10(5-6-23)9-22(14)17(12)16(13)19/h2-3,7-8,10,23H,1,4-6,9H2,(H,20,21)
InChIKeyXGPZOWPFWCOHGR-UHFFFAOYSA-N
XLogP4.28
TPSA53.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.25
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]ethanol 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-[6,7-dichloro-9-(1H-pyrazol-4-yl)-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl]-2-hydroxyethan-1-one
CID 138393371
US20230391786, Example 186
CID 170427139
US20230391786, Example 187
CID 170427620
US20230391786, Example 20
CID 170426488
US20230391786, Example 205
CID 170426614
US20230391786, Example 210
CID 170426624
US20230391786, Example 81
CID 170426632
US20230391786, Example 148
CID 170426654
US20230391786, Example 18
CID 170426673
US20230391786, Example 121
CID 170426705
US20230391786, Example 297
CID 170426718
US20230391786, Example 253
CID 170426728

Frequently Asked Questions

What is the IUPAC name of 2-[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]ethanol?
The IUPAC name of 2-[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]ethanol (CID 170426848) is 2-[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]ethanol.
What is the SMILES notation for 2-[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]ethanol?
The canonical SMILES for 2-[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]ethanol is OCCC1CCc2c(-c3cn[nH]c3)c3ccc(Cl)c(Cl)c3n2C1.
What is the InChIKey of 2-[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]ethanol?
The InChIKey is XGPZOWPFWCOHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O/c18-13-3-2-12-15(11-7-20-21-8-11)14-4-1-10(5-6-23)9-22(14)17(12)16(13)19/h2-3,7-8,10,23H,1,4-6,9H2,(H,20,21).
What are the key properties of 2-[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]ethanol?
2-[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]ethanol has a molecular weight of 350.25 g/mol, XLogP of 4.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]ethanol is sourced from PubChem (CID 170426848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).