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

C15H13Cl2N3O — CID 170426673

IUPAC3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-ol
SMILESOC1CCc2c(-c3cn[nH]c3)c3ccc(Cl)c(Cl)c3n2C1
InChIInChI=1S/C15H13Cl2N3O/c16-11-3-2-10-13(8-5-18-19-6-8)12-4-1-9(21)7-20(12)15(10)14(11)17/h2-3,5-6,9,21H,1,4,7H2,(H,18,19)
InChIKeyQECCLRBQRSTZPM-UHFFFAOYSA-N
MW322.19 g/mol
LogP3.65
Rot. Bonds1

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

3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-ol (PubChem CID 170426673) has the molecular formula C15H13Cl2N3O and a molecular weight of 322.19 g/mol. Its IUPAC name is 3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-ol.

Molecular Properties

Compound Name3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-ol
PubChem CID170426673
Molecular FormulaC15H13Cl2N3O
Molecular Weight322.19 g/mol
Exact Mass321.04
IUPAC Name3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-ol
SMILESOC1CCc2c(-c3cn[nH]c3)c3ccc(Cl)c(Cl)c3n2C1
InChIInChI=1S/C15H13Cl2N3O/c16-11-3-2-10-13(8-5-18-19-6-8)12-4-1-9(21)7-20(12)15(10)14(11)17/h2-3,5-6,9,21H,1,4,7H2,(H,18,19)
InChIKeyQECCLRBQRSTZPM-UHFFFAOYSA-N
XLogP3.65
TPSA53.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.19
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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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 187
CID 170427620
US20230391786, Example 20
CID 170426488
US20230391786, Example 210
CID 170426624
US20230391786, Example 121
CID 170426705
US20230391786, Example 278
CID 170426754
US20230391786, Example 8
CID 170426767
US20230391786, Example 168
CID 170426805
US20230391786, Example 73
CID 170426848
6,7-Dichloro-1,2-dimethyl-3-(1H-pyrazol-4-yl)indole
CID 170426855
US20230391786, Example 162
CID 170426887
US20230391786, Example 67
CID 170426925

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-ol?
The IUPAC name of 3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-ol (CID 170426673) is 3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-ol.
What is the SMILES notation for 3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-ol?
The canonical SMILES for 3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-ol is OC1CCc2c(-c3cn[nH]c3)c3ccc(Cl)c(Cl)c3n2C1.
What is the InChIKey of 3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-ol?
The InChIKey is QECCLRBQRSTZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3O/c16-11-3-2-10-13(8-5-18-19-6-8)12-4-1-9(21)7-20(12)15(10)14(11)17/h2-3,5-6,9,21H,1,4,7H2,(H,18,19).
What are the key properties of 3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-ol?
3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-ol has a molecular weight of 322.19 g/mol, XLogP of 3.65, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-ol is sourced from PubChem (CID 170426673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).