7-methoxy-2-pyridin-2-yl-4,5-dihydro-3H-benzo[e]indazol-1-one

C17H15N3O2 — CID 25016889

IUPAC7-methoxy-2-pyridin-2-yl-4,5-dihydro-3H-benzo[e]indazol-1-one
SMILESCOc1ccc2c(c1)CCc1[nH]n(-c3ccccn3)c(=O)c1-2
InChIInChI=1S/C17H15N3O2/c1-22-12-6-7-13-11(10-12)5-8-14-16(13)17(21)20(19-14)15-4-2-3-9-18-15/h2-4,6-7,9-10,19H,5,8H2,1H3
InChIKeyRMHAFSLTSXDFKK-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.33
Rot. Bonds2

About 7-methoxy-2-pyridin-2-yl-4,5-dihydro-3H-benzo[e]indazol-1-one

7-methoxy-2-pyridin-2-yl-4,5-dihydro-3H-benzo[e]indazol-1-one (PubChem CID 25016889) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 7-methoxy-2-pyridin-2-yl-4,5-dihydro-3H-benzo[e]indazol-1-one.

Molecular Properties

Compound Name7-methoxy-2-pyridin-2-yl-4,5-dihydro-3H-benzo[e]indazol-1-one
PubChem CID25016889
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name7-methoxy-2-pyridin-2-yl-4,5-dihydro-3H-benzo[e]indazol-1-one
SMILESCOc1ccc2c(c1)CCc1[nH]n(-c3ccccn3)c(=O)c1-2
InChIInChI=1S/C17H15N3O2/c1-22-12-6-7-13-11(10-12)5-8-14-16(13)17(21)20(19-14)15-4-2-3-9-18-15/h2-4,6-7,9-10,19H,5,8H2,1H3
InChIKeyRMHAFSLTSXDFKK-UHFFFAOYSA-N
XLogP2.33
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(Cyclohex-1-en-1-yl)-6-(4-methoxyphenyl)-2-phenyl-5-(pyridin-2-ylamino)pyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 134307820
5-(3,4-dimethoxyphenyl)-2-pyridin-2-yl-4H-pyrazol-3-one
CID 155577599
3-(4-methoxyphenyl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-N-pyridin-2-ylpropanamide
CID 24761480
7-(4-methoxyphenyl)-2-pyridin-2-yl-4,5-dihydro-2H-benzo[e]indazol-1-ol
CID 25016887
6-(4-methoxyphenyl)-2,3-diphenyl-5-(pyridin-2-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 134307447
5-(4-methoxyphenyl)-2-pyridin-2-yl-4H-pyrazol-3-one
CID 155773783
2-(7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(pyridin-2-yl)propanamide
CID 3765426
N-[5-(4-Methoxyphenyl)pyridin-2-yl]benzamide
CID 24949559
2-(6-methoxynaphthalen-2-yl)-N-(4-methylpyridin-2-yl)propanamide
CID 42919272
4-(4-methoxyphenyl)-2-phenyl-1,2-dihydro-3H-pyrazolo[3,4-b]pyridin-3-one
CID 6463999
4-(3-methoxyphenyl)-2-phenyl-1,2-dihydro-3H-pyrazolo[3,4-b]pyridin-3-one
CID 16043769
3-(4-methoxyphenyl)-N-(5-methylpyridin-2-yl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanamide
CID 24761481

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-pyridin-2-yl-4,5-dihydro-3H-benzo[e]indazol-1-one?
The IUPAC name of 7-methoxy-2-pyridin-2-yl-4,5-dihydro-3H-benzo[e]indazol-1-one (CID 25016889) is 7-methoxy-2-pyridin-2-yl-4,5-dihydro-3H-benzo[e]indazol-1-one.
What is the SMILES notation for 7-methoxy-2-pyridin-2-yl-4,5-dihydro-3H-benzo[e]indazol-1-one?
The canonical SMILES for 7-methoxy-2-pyridin-2-yl-4,5-dihydro-3H-benzo[e]indazol-1-one is COc1ccc2c(c1)CCc1[nH]n(-c3ccccn3)c(=O)c1-2.
What is the InChIKey of 7-methoxy-2-pyridin-2-yl-4,5-dihydro-3H-benzo[e]indazol-1-one?
The InChIKey is RMHAFSLTSXDFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-22-12-6-7-13-11(10-12)5-8-14-16(13)17(21)20(19-14)15-4-2-3-9-18-15/h2-4,6-7,9-10,19H,5,8H2,1H3.
What are the key properties of 7-methoxy-2-pyridin-2-yl-4,5-dihydro-3H-benzo[e]indazol-1-one?
7-methoxy-2-pyridin-2-yl-4,5-dihydro-3H-benzo[e]indazol-1-one has a molecular weight of 293.33 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-pyridin-2-yl-4,5-dihydro-3H-benzo[e]indazol-1-one is sourced from PubChem (CID 25016889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).