1-[6,7-dichloro-9-(1H-pyrazol-4-yl)-1,3,4,5-tetrahydroindeno[1,2-c]pyridin-2-yl]-2-hydroxyethanone

C17H15Cl2N3O2 — CID 159376123

IUPAC1-[6,7-dichloro-9-(1H-pyrazol-4-yl)-1,3,4,5-tetrahydroindeno[1,2-c]pyridin-2-yl]-2-hydroxyethanone
SMILESO=C(CO)N1CCC2=C(C1)c1c(-c3cn[nH]c3)cc(Cl)c(Cl)c1C2
InChIInChI=1S/C17H15Cl2N3O2/c18-14-4-11(10-5-20-21-6-10)16-12(17(14)19)3-9-1-2-22(7-13(9)16)15(24)8-23/h4-6,23H,1-3,7-8H2,(H,20,21)
InChIKeyLKIKOBRSNLAZIR-UHFFFAOYSA-N
MW364.23 g/mol
LogP2.92
Rot. Bonds2

About 1-[6,7-dichloro-9-(1H-pyrazol-4-yl)-1,3,4,5-tetrahydroindeno[1,2-c]pyridin-2-yl]-2-hydroxyethanone

1-[6,7-dichloro-9-(1H-pyrazol-4-yl)-1,3,4,5-tetrahydroindeno[1,2-c]pyridin-2-yl]-2-hydroxyethanone (PubChem CID 159376123) has the molecular formula C17H15Cl2N3O2 and a molecular weight of 364.23 g/mol. Its IUPAC name is 1-[6,7-dichloro-9-(1H-pyrazol-4-yl)-1,3,4,5-tetrahydroindeno[1,2-c]pyridin-2-yl]-2-hydroxyethanone.

Molecular Properties

Compound Name1-[6,7-dichloro-9-(1H-pyrazol-4-yl)-1,3,4,5-tetrahydroindeno[1,2-c]pyridin-2-yl]-2-hydroxyethanone
PubChem CID159376123
Molecular FormulaC17H15Cl2N3O2
Molecular Weight364.23 g/mol
Exact Mass363.05
IUPAC Name1-[6,7-dichloro-9-(1H-pyrazol-4-yl)-1,3,4,5-tetrahydroindeno[1,2-c]pyridin-2-yl]-2-hydroxyethanone
SMILESO=C(CO)N1CCC2=C(C1)c1c(-c3cn[nH]c3)cc(Cl)c(Cl)c1C2
InChIInChI=1S/C17H15Cl2N3O2/c18-14-4-11(10-5-20-21-6-10)16-12(17(14)19)3-9-1-2-22(7-13(9)16)15(24)8-23/h4-6,23H,1-3,7-8H2,(H,20,21)
InChIKeyLKIKOBRSNLAZIR-UHFFFAOYSA-N
XLogP2.92
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.23
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[6,7-dichloro-9-(5-methoxy-3-pyridinyl)-1,3,4,5-tetrahydroindeno[1,2-c]pyridin-2-yl]-2-hydroxyethanone
CID 158421458
1-[6,7-dichloro-9-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,4,5-tetrahydroindeno[1,2-c]pyridin-2-yl]-2-hydroxyethanone
CID 160597828
1-[6,7-dichloro-9-(4-methoxy-2-pyridinyl)-1,3,4,5-tetrahydroindeno[1,2-c]pyridin-2-yl]-2-hydroxyethanone
CID 159110818
1-(6,7-dichloro-9-pyrimidin-5-yl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyridin-2-yl)-2-hydroxyethanone
CID 169147914
1-[6,7-dichloro-9-(2-hydroxyphenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-2-hydroxyethanone
CID 139388502
4-chloro-3-(1H-pyrazol-4-yl)benzoic acid
CID 177367869
1-[6,7-dichloro-9-(1-methylpyrazol-3-yl)-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyridin-2-yl]-2-hydroxyethanone
CID 169147824
1-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-methoxyethanone
CID 170610201
1-[6,7-dichloro-9-(1,3-dimethylpyrazol-4-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-2-hydroxyethanone
CID 155117474
N-[2-acetyl-6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl]-2-hydroxyacetamide
CID 170427378
2-amino-1-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]ethanone;hydrochloride
CID 170426674
1-[9-amino-6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]ethanone;ethane;methanol
CID 170610084

Frequently Asked Questions

What is the IUPAC name of 1-[6,7-dichloro-9-(1H-pyrazol-4-yl)-1,3,4,5-tetrahydroindeno[1,2-c]pyridin-2-yl]-2-hydroxyethanone?
The IUPAC name of 1-[6,7-dichloro-9-(1H-pyrazol-4-yl)-1,3,4,5-tetrahydroindeno[1,2-c]pyridin-2-yl]-2-hydroxyethanone (CID 159376123) is 1-[6,7-dichloro-9-(1H-pyrazol-4-yl)-1,3,4,5-tetrahydroindeno[1,2-c]pyridin-2-yl]-2-hydroxyethanone.
What is the SMILES notation for 1-[6,7-dichloro-9-(1H-pyrazol-4-yl)-1,3,4,5-tetrahydroindeno[1,2-c]pyridin-2-yl]-2-hydroxyethanone?
The canonical SMILES for 1-[6,7-dichloro-9-(1H-pyrazol-4-yl)-1,3,4,5-tetrahydroindeno[1,2-c]pyridin-2-yl]-2-hydroxyethanone is O=C(CO)N1CCC2=C(C1)c1c(-c3cn[nH]c3)cc(Cl)c(Cl)c1C2.
What is the InChIKey of 1-[6,7-dichloro-9-(1H-pyrazol-4-yl)-1,3,4,5-tetrahydroindeno[1,2-c]pyridin-2-yl]-2-hydroxyethanone?
The InChIKey is LKIKOBRSNLAZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3O2/c18-14-4-11(10-5-20-21-6-10)16-12(17(14)19)3-9-1-2-22(7-13(9)16)15(24)8-23/h4-6,23H,1-3,7-8H2,(H,20,21).
What are the key properties of 1-[6,7-dichloro-9-(1H-pyrazol-4-yl)-1,3,4,5-tetrahydroindeno[1,2-c]pyridin-2-yl]-2-hydroxyethanone?
1-[6,7-dichloro-9-(1H-pyrazol-4-yl)-1,3,4,5-tetrahydroindeno[1,2-c]pyridin-2-yl]-2-hydroxyethanone has a molecular weight of 364.23 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6,7-dichloro-9-(1H-pyrazol-4-yl)-1,3,4,5-tetrahydroindeno[1,2-c]pyridin-2-yl]-2-hydroxyethanone is sourced from PubChem (CID 159376123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).