(3-methylpiperidin-1-yl)-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2,3-dihydroindol-2-yl]methanone

C20H22N6O — CID 69272501

IUPAC(3-methylpiperidin-1-yl)-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2,3-dihydroindol-2-yl]methanone
SMILESCC1CCCN(C(=O)C2Cc3ccccc3N2c2ccc3nncn3n2)C1
InChIInChI=1S/C20H22N6O/c1-14-5-4-10-24(12-14)20(27)17-11-15-6-2-3-7-16(15)26(17)19-9-8-18-22-21-13-25(18)23-19/h2-3,6-9,13-14,17H,4-5,10-12H2,1H3
InChIKeyHAPFUQHQZCYYSZ-UHFFFAOYSA-N
MW362.44 g/mol
LogP2.45
Rot. Bonds2

About (3-methylpiperidin-1-yl)-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2,3-dihydroindol-2-yl]methanone

(3-methylpiperidin-1-yl)-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2,3-dihydroindol-2-yl]methanone (PubChem CID 69272501) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is (3-methylpiperidin-1-yl)-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2,3-dihydroindol-2-yl]methanone.

Molecular Properties

Compound Name(3-methylpiperidin-1-yl)-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2,3-dihydroindol-2-yl]methanone
PubChem CID69272501
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name(3-methylpiperidin-1-yl)-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2,3-dihydroindol-2-yl]methanone
SMILESCC1CCCN(C(=O)C2Cc3ccccc3N2c2ccc3nncn3n2)C1
InChIInChI=1S/C20H22N6O/c1-14-5-4-10-24(12-14)20(27)17-11-15-6-2-3-7-16(15)26(17)19-9-8-18-22-21-13-25(18)23-19/h2-3,6-9,13-14,17H,4-5,10-12H2,1H3
InChIKeyHAPFUQHQZCYYSZ-UHFFFAOYSA-N
XLogP2.45
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3-methylpiperidin-1-yl)-(1-pyridazin-3-yl-2,3-dihydroindol-2-yl)methanone
CID 69275502
[(3S)-3-methylpiperidin-1-yl]-[(2S)-1-(1-methyl-6-sulfanylidenepyridazin-3-yl)-2,3-dihydroindol-2-yl]methanone
CID 87761635
3-[2-(3-methylpiperidine-1-carbonyl)-2,3-dihydroindol-1-yl]-1H-pyridazin-6-one
CID 69273701
6-[(2S)-2-(3,5-dimethylpiperidine-1-carbonyl)-2,3-dihydroindol-1-yl]-2-methylpyridazin-3-one
CID 69273338
[(2S)-1-(1,3-benzoxazol-2-yl)-2,3-dihydroindol-2-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 11617471
(2S)-2-[(3R)-3-methylpiperidine-1-carbonyl]-2,3-dihydroindole-1-carboxylic acid
CID 69275495
[(2R)-5-bromo-1-pyridazin-3-yl-2,3-dihydroindol-2-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 69273670
[(3R,5S)-3,5-dimethylpiperidin-1-yl]-(1-pyridin-2-yl-2,3-dihydroindol-2-yl)methanone
CID 142690245
6-[2-(3-ethylpyrrolidine-1-carbonyl)-2,3-dihydroindol-1-yl]-2-methylpyridazin-3-one
CID 69273449
[(3R)-3-aminopiperidin-1-yl]-(1-pyrimidin-2-yl-2,3-dihydroindol-2-yl)methanone;dihydrochloride
CID 69273494
[(3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 30766849
1-(2,3-dihydroindol-1-yl)-2-(3-methylpiperidin-1-yl)ethane-1,2-dione
CID 47335819

Frequently Asked Questions

What is the IUPAC name of (3-methylpiperidin-1-yl)-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2,3-dihydroindol-2-yl]methanone?
The IUPAC name of (3-methylpiperidin-1-yl)-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2,3-dihydroindol-2-yl]methanone (CID 69272501) is (3-methylpiperidin-1-yl)-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2,3-dihydroindol-2-yl]methanone.
What is the SMILES notation for (3-methylpiperidin-1-yl)-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2,3-dihydroindol-2-yl]methanone?
The canonical SMILES for (3-methylpiperidin-1-yl)-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2,3-dihydroindol-2-yl]methanone is CC1CCCN(C(=O)C2Cc3ccccc3N2c2ccc3nncn3n2)C1.
What is the InChIKey of (3-methylpiperidin-1-yl)-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2,3-dihydroindol-2-yl]methanone?
The InChIKey is HAPFUQHQZCYYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c1-14-5-4-10-24(12-14)20(27)17-11-15-6-2-3-7-16(15)26(17)19-9-8-18-22-21-13-25(18)23-19/h2-3,6-9,13-14,17H,4-5,10-12H2,1H3.
What are the key properties of (3-methylpiperidin-1-yl)-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2,3-dihydroindol-2-yl]methanone?
(3-methylpiperidin-1-yl)-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2,3-dihydroindol-2-yl]methanone has a molecular weight of 362.44 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperidin-1-yl)-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2,3-dihydroindol-2-yl]methanone is sourced from PubChem (CID 69272501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).