1-(2,3-dihydroindol-1-yl)-2-(3-methylindazol-1-yl)propan-1-one

C19H19N3O — CID 53298906

IUPAC1-(2,3-dihydroindol-1-yl)-2-(3-methylindazol-1-yl)propan-1-one
SMILESCc1nn(C(C)C(=O)N2CCc3ccccc32)c2ccccc12
InChIInChI=1S/C19H19N3O/c1-13-16-8-4-6-10-18(16)22(20-13)14(2)19(23)21-12-11-15-7-3-5-9-17(15)21/h3-10,14H,11-12H2,1-2H3
InChIKeyPIAUZVWCDPTDQJ-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.50
Rot. Bonds2

About 1-(2,3-dihydroindol-1-yl)-2-(3-methylindazol-1-yl)propan-1-one

1-(2,3-dihydroindol-1-yl)-2-(3-methylindazol-1-yl)propan-1-one (PubChem CID 53298906) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-(3-methylindazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-(3-methylindazol-1-yl)propan-1-one
PubChem CID53298906
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-(3-methylindazol-1-yl)propan-1-one
SMILESCc1nn(C(C)C(=O)N2CCc3ccccc32)c2ccccc12
InChIInChI=1S/C19H19N3O/c1-13-16-8-4-6-10-18(16)22(20-13)14(2)19(23)21-12-11-15-7-3-5-9-17(15)21/h3-10,14H,11-12H2,1-2H3
InChIKeyPIAUZVWCDPTDQJ-UHFFFAOYSA-N
XLogP3.50
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-one
CID 46279373
1-(2,3-dihydroindol-1-yl)-2-pyrrolidin-1-ylpropan-1-one
CID 42911822
(2S)-1-(2,3-dihydroindol-1-yl)-2-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one
CID 8725314
2-(azepan-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 134062617
2-amino-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 20806588
2-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-5-(4-methylphenyl)-1,2,4-triazin-3-one
CID 95062215
2-(3-methylindazol-1-yl)-N-propan-2-ylpropanamide
CID 22509793
(2R)-1-(2,3-dihydroindol-1-yl)-2-phenylpropan-1-one
CID 134943813
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-methylurea
CID 46383472
1-(2,3-dihydroindol-1-yl)-2-(4-phenylpiperazin-1-yl)propan-1-one
CID 4818334
(2S)-1-(2,3-dihydroindol-1-yl)-2-(4-ethylpiperazin-1-yl)propan-1-one
CID 1439229
(2S)-2-(4-aza-1-azoniabicyclo[2.2.2]octan-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 2533731

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-(3-methylindazol-1-yl)propan-1-one?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-(3-methylindazol-1-yl)propan-1-one (CID 53298906) is 1-(2,3-dihydroindol-1-yl)-2-(3-methylindazol-1-yl)propan-1-one.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-(3-methylindazol-1-yl)propan-1-one?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-(3-methylindazol-1-yl)propan-1-one is Cc1nn(C(C)C(=O)N2CCc3ccccc32)c2ccccc12.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-(3-methylindazol-1-yl)propan-1-one?
The InChIKey is PIAUZVWCDPTDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-13-16-8-4-6-10-18(16)22(20-13)14(2)19(23)21-12-11-15-7-3-5-9-17(15)21/h3-10,14H,11-12H2,1-2H3.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-(3-methylindazol-1-yl)propan-1-one?
1-(2,3-dihydroindol-1-yl)-2-(3-methylindazol-1-yl)propan-1-one has a molecular weight of 305.38 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-(3-methylindazol-1-yl)propan-1-one is sourced from PubChem (CID 53298906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).