[3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone

C18H22N6O2 — CID 162631560

IUPAC[3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone
SMILESCc1[nH]nc2c1CN(C(=O)c1ccc3nnc(C(O)C(C)C)n3c1)CC2
InChIInChI=1S/C18H22N6O2/c1-10(2)16(25)17-22-21-15-5-4-12(8-24(15)17)18(26)23-7-6-14-13(9-23)11(3)19-20-14/h4-5,8,10,16,25H,6-7,9H2,1-3H3,(H,19,20)
InChIKeyRJXLKWNYLUCBTR-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.65
Rot. Bonds3

About [3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone

[3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone (PubChem CID 162631560) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is [3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name[3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone
PubChem CID162631560
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC Name[3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone
SMILESCc1[nH]nc2c1CN(C(=O)c1ccc3nnc(C(O)C(C)C)n3c1)CC2
InChIInChI=1S/C18H22N6O2/c1-10(2)16(25)17-22-21-15-5-4-12(8-24(15)17)18(26)23-7-6-14-13(9-23)11(3)19-20-14/h4-5,8,10,16,25H,6-7,9H2,1-3H3,(H,19,20)
InChIKeyRJXLKWNYLUCBTR-UHFFFAOYSA-N
XLogP1.65
TPSA99.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone with MolForge

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Related Compounds

[3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone
CID 157016211
[3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 156585343
1-[3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl]piperidine-4-sulfonamide
CID 163314332
[3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 156585288
[3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-[(1S,5R)-spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-4'-yl]methanone
CID 157017269
3,4-dihydro-2H-chromen-6-yl-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone
CID 119066265
(4-bromo-2-fluoro-3-methylphenyl)-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone
CID 154848209
N-(1-carbamoylcyclopentyl)-3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 162628528
3-(1-hydroxy-2-methylpropyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 156583876
3-(1-hydroxy-2-methylpropyl)-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 157014275
tert-butyl 3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate
CID 161113492
3-(1-hydroxy-2-methylpropyl)-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 162636405

Frequently Asked Questions

What is the IUPAC name of [3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone?
The IUPAC name of [3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone (CID 162631560) is [3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone.
What is the SMILES notation for [3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone?
The canonical SMILES for [3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone is Cc1[nH]nc2c1CN(C(=O)c1ccc3nnc(C(O)C(C)C)n3c1)CC2.
What is the InChIKey of [3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone?
The InChIKey is RJXLKWNYLUCBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2/c1-10(2)16(25)17-22-21-15-5-4-12(8-24(15)17)18(26)23-7-6-14-13(9-23)11(3)19-20-14/h4-5,8,10,16,25H,6-7,9H2,1-3H3,(H,19,20).
What are the key properties of [3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone?
[3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone has a molecular weight of 354.41 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone is sourced from PubChem (CID 162631560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).