2,4-dihydropyrazolo[4,3-b]indol-3-yl-(4-methylphenyl)methanone

C17H13N3O — CID 137269434

IUPAC2,4-dihydropyrazolo[4,3-b]indol-3-yl-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2[nH]nc3c2[nH]c2ccccc23)cc1
InChIInChI=1S/C17H13N3O/c1-10-6-8-11(9-7-10)17(21)16-15-14(19-20-16)12-4-2-3-5-13(12)18-15/h2-9,18H,1H3,(H,19,20)
InChIKeyGCXOVMFXLRONCY-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.58
Rot. Bonds2

About 2,4-dihydropyrazolo[4,3-b]indol-3-yl-(4-methylphenyl)methanone

2,4-dihydropyrazolo[4,3-b]indol-3-yl-(4-methylphenyl)methanone (PubChem CID 137269434) has the molecular formula C17H13N3O and a molecular weight of 275.31 g/mol. Its IUPAC name is 2,4-dihydropyrazolo[4,3-b]indol-3-yl-(4-methylphenyl)methanone.

Molecular Properties

Compound Name2,4-dihydropyrazolo[4,3-b]indol-3-yl-(4-methylphenyl)methanone
PubChem CID137269434
Molecular FormulaC17H13N3O
Molecular Weight275.31 g/mol
Exact Mass275.11
IUPAC Name2,4-dihydropyrazolo[4,3-b]indol-3-yl-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2[nH]nc3c2[nH]c2ccccc23)cc1
InChIInChI=1S/C17H13N3O/c1-10-6-8-11(9-7-10)17(21)16-15-14(19-20-16)12-4-2-3-5-13(12)18-15/h2-9,18H,1H3,(H,19,20)
InChIKeyGCXOVMFXLRONCY-UHFFFAOYSA-N
XLogP3.58
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7H-indolo[2,3-c]quinolin-6-yl-(4-methylphenyl)methanone
CID 170637595
2-methyl-5,10-dihydroindolo[3,2-b]quinolin-11-one
CID 10681996
7-methyl-5,10-dihydroindolo[3,2-b]quinolin-11-one
CID 10776936
diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781
(4-methylphenyl)-[4-[2-(4-methylphenyl)phenyl]phenyl]methanone
CID 175461017
(2-methyl-9H-pyrido[3,4-b]indol-2-ium-1-yl)-phenylmethanone iodide
CID 127040471
[4-hydroxy-3-(4-methylbenzoyl)-1H-pyrazol-5-yl]-(4-methoxyphenyl)methanone
CID 135413871
2-benzoyl-3-phenyl-1H-quinolin-4-one
CID 132534400
3-[[(4-methylbenzoyl)amino]methyl]-1H-indole-2-carboxylic acid
CID 141176793
methyl 4-[2-(4-methylphenyl)-1H-indol-3-yl]benzoate
CID 15528443
(2-oxo-1H-quinolin-4-yl) 4-methylbenzoate
CID 73056961
N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methylbenzamide
CID 747707

Frequently Asked Questions

What is the IUPAC name of 2,4-dihydropyrazolo[4,3-b]indol-3-yl-(4-methylphenyl)methanone?
The IUPAC name of 2,4-dihydropyrazolo[4,3-b]indol-3-yl-(4-methylphenyl)methanone (CID 137269434) is 2,4-dihydropyrazolo[4,3-b]indol-3-yl-(4-methylphenyl)methanone.
What is the SMILES notation for 2,4-dihydropyrazolo[4,3-b]indol-3-yl-(4-methylphenyl)methanone?
The canonical SMILES for 2,4-dihydropyrazolo[4,3-b]indol-3-yl-(4-methylphenyl)methanone is Cc1ccc(C(=O)c2[nH]nc3c2[nH]c2ccccc23)cc1.
What is the InChIKey of 2,4-dihydropyrazolo[4,3-b]indol-3-yl-(4-methylphenyl)methanone?
The InChIKey is GCXOVMFXLRONCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O/c1-10-6-8-11(9-7-10)17(21)16-15-14(19-20-16)12-4-2-3-5-13(12)18-15/h2-9,18H,1H3,(H,19,20).
What are the key properties of 2,4-dihydropyrazolo[4,3-b]indol-3-yl-(4-methylphenyl)methanone?
2,4-dihydropyrazolo[4,3-b]indol-3-yl-(4-methylphenyl)methanone has a molecular weight of 275.31 g/mol, XLogP of 3.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydropyrazolo[4,3-b]indol-3-yl-(4-methylphenyl)methanone is sourced from PubChem (CID 137269434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).