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

C17H15Cl2N3O3 — CID 160597828

IUPAC1-[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
SMILESCc1noc(-c2cc(Cl)c(Cl)c3c2C2=C(CCN(C(=O)CO)C2)C3)n1
InChIInChI=1S/C17H15Cl2N3O3/c1-8-20-17(25-21-8)11-5-13(18)16(19)10-4-9-2-3-22(14(24)7-23)6-12(9)15(10)11/h5,23H,2-4,6-7H2,1H3
InChIKeyRDWIKKYDSFYVHP-UHFFFAOYSA-N
MW380.23 g/mol
LogP2.89
Rot. Bonds2

About 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

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 (PubChem CID 160597828) has the molecular formula C17H15Cl2N3O3 and a molecular weight of 380.23 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID160597828
Molecular FormulaC17H15Cl2N3O3
Molecular Weight380.23 g/mol
Exact Mass379.05
IUPAC Name1-[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
SMILESCc1noc(-c2cc(Cl)c(Cl)c3c2C2=C(CCN(C(=O)CO)C2)C3)n1
InChIInChI=1S/C17H15Cl2N3O3/c1-8-20-17(25-21-8)11-5-13(18)16(19)10-4-9-2-3-22(14(24)7-23)6-12(9)15(10)11/h5,23H,2-4,6-7H2,1H3
InChIKeyRDWIKKYDSFYVHP-UHFFFAOYSA-N
XLogP2.89
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.23
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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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-(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-[1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]butan-1-one
CID 53018518
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
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-9-(2-hydroxyphenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-2-hydroxyethanone
CID 139388502
5-(2-chlorophenyl)-3-methyl-1,2,4-oxadiazole
CID 30469663
3,5-dichloro-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid
CID 43516111
[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 30749625
[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
CID 36723947
2-hydroxy-1-[(3S)-3-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 95841858

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1noc(-c2cc(Cl)c(Cl)c3c2C2=C(CCN(C(=O)CO)C2)C3)n1.
What is the InChIKey of 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?
The InChIKey is RDWIKKYDSFYVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3O3/c1-8-20-17(25-21-8)11-5-13(18)16(19)10-4-9-2-3-22(14(24)7-23)6-12(9)15(10)11/h5,23H,2-4,6-7H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 380.23 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160597828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).