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

C15H11Cl2N3O — CID 170427865

IUPAC3,4-dichloro-10-(1H-pyrazol-4-yl)-8,9-dihydro-6H-pyrido[1,2-a]indol-7-one
SMILESO=C1CCc2c(-c3cn[nH]c3)c3ccc(Cl)c(Cl)c3n2C1
InChIInChI=1S/C15H11Cl2N3O/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/h2-3,5-6H,1,4,7H2,(H,18,19)
InChIKeyOWWMQUBHKNVXHB-UHFFFAOYSA-N
MW320.18 g/mol
LogP3.85
Rot. Bonds1

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

3,4-dichloro-10-(1H-pyrazol-4-yl)-8,9-dihydro-6H-pyrido[1,2-a]indol-7-one (PubChem CID 170427865) has the molecular formula C15H11Cl2N3O and a molecular weight of 320.18 g/mol. Its IUPAC name is 3,4-dichloro-10-(1H-pyrazol-4-yl)-8,9-dihydro-6H-pyrido[1,2-a]indol-7-one.

Molecular Properties

Compound Name3,4-dichloro-10-(1H-pyrazol-4-yl)-8,9-dihydro-6H-pyrido[1,2-a]indol-7-one
PubChem CID170427865
Molecular FormulaC15H11Cl2N3O
Molecular Weight320.18 g/mol
Exact Mass319.03
IUPAC Name3,4-dichloro-10-(1H-pyrazol-4-yl)-8,9-dihydro-6H-pyrido[1,2-a]indol-7-one
SMILESO=C1CCc2c(-c3cn[nH]c3)c3ccc(Cl)c(Cl)c3n2C1
InChIInChI=1S/C15H11Cl2N3O/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/h2-3,5-6H,1,4,7H2,(H,18,19)
InChIKeyOWWMQUBHKNVXHB-UHFFFAOYSA-N
XLogP3.85
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-10-(1H-pyrazol-4-yl)-8,9-dihydro-6H-pyrido[1,2-a]indol-7-one?
The IUPAC name of 3,4-dichloro-10-(1H-pyrazol-4-yl)-8,9-dihydro-6H-pyrido[1,2-a]indol-7-one (CID 170427865) is 3,4-dichloro-10-(1H-pyrazol-4-yl)-8,9-dihydro-6H-pyrido[1,2-a]indol-7-one.
What is the SMILES notation for 3,4-dichloro-10-(1H-pyrazol-4-yl)-8,9-dihydro-6H-pyrido[1,2-a]indol-7-one?
The canonical SMILES for 3,4-dichloro-10-(1H-pyrazol-4-yl)-8,9-dihydro-6H-pyrido[1,2-a]indol-7-one is O=C1CCc2c(-c3cn[nH]c3)c3ccc(Cl)c(Cl)c3n2C1.
What is the InChIKey of 3,4-dichloro-10-(1H-pyrazol-4-yl)-8,9-dihydro-6H-pyrido[1,2-a]indol-7-one?
The InChIKey is OWWMQUBHKNVXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3O/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/h2-3,5-6H,1,4,7H2,(H,18,19).
What are the key properties of 3,4-dichloro-10-(1H-pyrazol-4-yl)-8,9-dihydro-6H-pyrido[1,2-a]indol-7-one?
3,4-dichloro-10-(1H-pyrazol-4-yl)-8,9-dihydro-6H-pyrido[1,2-a]indol-7-one has a molecular weight of 320.18 g/mol, XLogP of 3.85, 1 rotatable bonds, 1 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)-8,9-dihydro-6H-pyrido[1,2-a]indol-7-one is sourced from PubChem (CID 170427865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).