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

C20H18Cl2N2O3 — CID 159110818

IUPAC1-[6,7-dichloro-9-(4-methoxy-2-pyridinyl)-1,3,4,5-tetrahydroindeno[1,2-c]pyridin-2-yl]-2-hydroxyethanone
SMILESCOc1ccnc(-c2cc(Cl)c(Cl)c3c2C2=C(CCN(C(=O)CO)C2)C3)c1
InChIInChI=1S/C20H18Cl2N2O3/c1-27-12-2-4-23-17(7-12)13-8-16(21)20(22)14-6-11-3-5-24(18(26)10-25)9-15(11)19(13)14/h2,4,7-8,25H,3,5-6,9-10H2,1H3
InChIKeyKELSIKYPQKXWAV-UHFFFAOYSA-N
MW405.28 g/mol
LogP3.60
Rot. Bonds3

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

1-[6,7-dichloro-9-(4-methoxy-2-pyridinyl)-1,3,4,5-tetrahydroindeno[1,2-c]pyridin-2-yl]-2-hydroxyethanone (PubChem CID 159110818) has the molecular formula C20H18Cl2N2O3 and a molecular weight of 405.28 g/mol. Its IUPAC name is 1-[6,7-dichloro-9-(4-methoxy-2-pyridinyl)-1,3,4,5-tetrahydroindeno[1,2-c]pyridin-2-yl]-2-hydroxyethanone.

Molecular Properties

Compound Name1-[6,7-dichloro-9-(4-methoxy-2-pyridinyl)-1,3,4,5-tetrahydroindeno[1,2-c]pyridin-2-yl]-2-hydroxyethanone
PubChem CID159110818
Molecular FormulaC20H18Cl2N2O3
Molecular Weight405.28 g/mol
Exact Mass404.07
IUPAC Name1-[6,7-dichloro-9-(4-methoxy-2-pyridinyl)-1,3,4,5-tetrahydroindeno[1,2-c]pyridin-2-yl]-2-hydroxyethanone
SMILESCOc1ccnc(-c2cc(Cl)c(Cl)c3c2C2=C(CCN(C(=O)CO)C2)C3)c1
InChIInChI=1S/C20H18Cl2N2O3/c1-27-12-2-4-23-17(7-12)13-8-16(21)20(22)14-6-11-3-5-24(18(26)10-25)9-15(11)19(13)14/h2,4,7-8,25H,3,5-6,9-10H2,1H3
InChIKeyKELSIKYPQKXWAV-UHFFFAOYSA-N
XLogP3.60
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.28
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-(1H-pyrazol-4-yl)-1,3,4,5-tetrahydroindeno[1,2-c]pyridin-2-yl]-2-hydroxyethanone
CID 159376123
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-(1-methylpyrazol-3-yl)-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyridin-2-yl]-2-hydroxyethanone
CID 169147824
2-(2,5-dichlorophenyl)-4-methoxypyridine
CID 118819379
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
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methoxyphenoxy)ethanone
CID 42470135
bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);decakis(oxygen(2-));tungsten;bis(vanadium)
CID 53380093
1-[2-(3,4-dichlorophenoxy)acetyl]piperidin-4-one
CID 39425848
2-amino-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone
CID 119877691
2-[[2-(4-methoxy-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-1-morpholin-4-ylethanone
CID 157030240

Frequently Asked Questions

What is the IUPAC name of 1-[6,7-dichloro-9-(4-methoxy-2-pyridinyl)-1,3,4,5-tetrahydroindeno[1,2-c]pyridin-2-yl]-2-hydroxyethanone?
The IUPAC name of 1-[6,7-dichloro-9-(4-methoxy-2-pyridinyl)-1,3,4,5-tetrahydroindeno[1,2-c]pyridin-2-yl]-2-hydroxyethanone (CID 159110818) is 1-[6,7-dichloro-9-(4-methoxy-2-pyridinyl)-1,3,4,5-tetrahydroindeno[1,2-c]pyridin-2-yl]-2-hydroxyethanone.
What is the SMILES notation for 1-[6,7-dichloro-9-(4-methoxy-2-pyridinyl)-1,3,4,5-tetrahydroindeno[1,2-c]pyridin-2-yl]-2-hydroxyethanone?
The canonical SMILES for 1-[6,7-dichloro-9-(4-methoxy-2-pyridinyl)-1,3,4,5-tetrahydroindeno[1,2-c]pyridin-2-yl]-2-hydroxyethanone is COc1ccnc(-c2cc(Cl)c(Cl)c3c2C2=C(CCN(C(=O)CO)C2)C3)c1.
What is the InChIKey of 1-[6,7-dichloro-9-(4-methoxy-2-pyridinyl)-1,3,4,5-tetrahydroindeno[1,2-c]pyridin-2-yl]-2-hydroxyethanone?
The InChIKey is KELSIKYPQKXWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N2O3/c1-27-12-2-4-23-17(7-12)13-8-16(21)20(22)14-6-11-3-5-24(18(26)10-25)9-15(11)19(13)14/h2,4,7-8,25H,3,5-6,9-10H2,1H3.
What are the key properties of 1-[6,7-dichloro-9-(4-methoxy-2-pyridinyl)-1,3,4,5-tetrahydroindeno[1,2-c]pyridin-2-yl]-2-hydroxyethanone?
1-[6,7-dichloro-9-(4-methoxy-2-pyridinyl)-1,3,4,5-tetrahydroindeno[1,2-c]pyridin-2-yl]-2-hydroxyethanone has a molecular weight of 405.28 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6,7-dichloro-9-(4-methoxy-2-pyridinyl)-1,3,4,5-tetrahydroindeno[1,2-c]pyridin-2-yl]-2-hydroxyethanone is sourced from PubChem (CID 159110818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).