2-propan-2-yl-1-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]indazol-3-one

C19H20N6O — CID 51361330

IUPAC2-propan-2-yl-1-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]indazol-3-one
SMILESCC(C)n1c(=O)c2ccccc2n1Cc1cn(Cc2cccnc2)nn1
InChIInChI=1S/C19H20N6O/c1-14(2)25-19(26)17-7-3-4-8-18(17)24(25)13-16-12-23(22-21-16)11-15-6-5-9-20-10-15/h3-10,12,14H,11,13H2,1-2H3
InChIKeyNQWMQZQSLQICPZ-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.47
Rot. Bonds5

About 2-propan-2-yl-1-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]indazol-3-one

2-propan-2-yl-1-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]indazol-3-one (PubChem CID 51361330) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-propan-2-yl-1-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]indazol-3-one.

Molecular Properties

Compound Name2-propan-2-yl-1-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]indazol-3-one
PubChem CID51361330
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name2-propan-2-yl-1-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]indazol-3-one
SMILESCC(C)n1c(=O)c2ccccc2n1Cc1cn(Cc2cccnc2)nn1
InChIInChI=1S/C19H20N6O/c1-14(2)25-19(26)17-7-3-4-8-18(17)24(25)13-16-12-23(22-21-16)11-15-6-5-9-20-10-15/h3-10,12,14H,11,13H2,1-2H3
InChIKeyNQWMQZQSLQICPZ-UHFFFAOYSA-N
XLogP2.47
TPSA70.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(18F)MK-1312
CID 53316847
2-(3-Pyridylmethyl)indazolinone
CID 129095
2-cyclopropyl-5-(1-(2-fluoro-3-pyridinyl)-5-methyl-1H-1,2,3-triazol-4-yl)-2,3-dihydro-1H-isoindol-1-one
CID 11175501
4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 57382333
N-ethyl-5-methyl-N-[2-[3-(6-methyl-2-pyridinyl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide
CID 57389484
N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide
CID 57389725
N-ethyl-N-[(2S)-1-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide
CID 72700543
5-{[(3Z)-5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-2,4-dimethyl-N-[2-(1H-1,2,3-triazol-1-yl)ethyl]-1H-pyrrole-3-carboxamide
CID 5329110
2-benzyl-N-cyclopropyl-6-(1-methyl-1H-1,2,3-triazol-4-yl)isonicotinamide
CID 155818571
2,3-Dihydroindol-1-yl(pyrazolo[1,5-a]pyridin-3-yl)methanone
CID 5308192
1-Cyclohexyl-4-{pyrazolo[1,5-a]pyridine-3-carbonyl}piperazine
CID 6619939
5-(1-(2-fluoropyridin-3-yl)-5-methyl-1H-1,2,3-triazol-4-yl)-2-isopropylisoindolin-1-one
CID 11325594

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]indazol-3-one?
The IUPAC name of 2-propan-2-yl-1-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]indazol-3-one (CID 51361330) is 2-propan-2-yl-1-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]indazol-3-one.
What is the SMILES notation for 2-propan-2-yl-1-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]indazol-3-one?
The canonical SMILES for 2-propan-2-yl-1-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]indazol-3-one is CC(C)n1c(=O)c2ccccc2n1Cc1cn(Cc2cccnc2)nn1.
What is the InChIKey of 2-propan-2-yl-1-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]indazol-3-one?
The InChIKey is NQWMQZQSLQICPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c1-14(2)25-19(26)17-7-3-4-8-18(17)24(25)13-16-12-23(22-21-16)11-15-6-5-9-20-10-15/h3-10,12,14H,11,13H2,1-2H3.
What are the key properties of 2-propan-2-yl-1-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]indazol-3-one?
2-propan-2-yl-1-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]indazol-3-one has a molecular weight of 348.41 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]indazol-3-one is sourced from PubChem (CID 51361330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).