[3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone

C18H27N5O3 — CID 156585343

IUPAC[3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone
SMILESCOCCN1CCN(C(=O)c2ccc3nnc(C(O)C(C)C)n3c2)CC1
InChIInChI=1S/C18H27N5O3/c1-13(2)16(24)17-20-19-15-5-4-14(12-23(15)17)18(25)22-8-6-21(7-9-22)10-11-26-3/h4-5,12-13,16,24H,6-11H2,1-3H3
InChIKeyRWFLOOKORUANSI-UHFFFAOYSA-N
MW361.45 g/mol
LogP0.82
Rot. Bonds6

About [3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone

[3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone (PubChem CID 156585343) has the molecular formula C18H27N5O3 and a molecular weight of 361.45 g/mol. Its IUPAC name is [3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone
PubChem CID156585343
Molecular FormulaC18H27N5O3
Molecular Weight361.45 g/mol
Exact Mass361.21
IUPAC Name[3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone
SMILESCOCCN1CCN(C(=O)c2ccc3nnc(C(O)C(C)C)n3c2)CC1
InChIInChI=1S/C18H27N5O3/c1-13(2)16(24)17-20-19-15-5-4-14(12-23(15)17)18(25)22-8-6-21(7-9-22)10-11-26-3/h4-5,12-13,16,24H,6-11H2,1-3H3
InChIKeyRWFLOOKORUANSI-UHFFFAOYSA-N
XLogP0.82
TPSA83.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 156585288
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]-(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]-[(1S,5R)-spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-4'-yl]methanone
CID 157017269
N-(1-carbamoylcyclopentyl)-3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 162628528
[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
CID 86966453
[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
CID 56803163
[4-(2-methoxyethyl)piperazin-1-yl]-[2-(propan-2-ylamino)pyrimidin-5-yl]methanone
CID 72900903
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-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 162629903
N-(1,3-benzodioxol-5-ylmethyl)-3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 156585763
methyl 3-(3-methylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 115384703

Frequently Asked Questions

What is the IUPAC name of [3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone?
The IUPAC name of [3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone (CID 156585343) is [3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone?
The canonical SMILES for [3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone is COCCN1CCN(C(=O)c2ccc3nnc(C(O)C(C)C)n3c2)CC1.
What is the InChIKey of [3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone?
The InChIKey is RWFLOOKORUANSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O3/c1-13(2)16(24)17-20-19-15-5-4-14(12-23(15)17)18(25)22-8-6-21(7-9-22)10-11-26-3/h4-5,12-13,16,24H,6-11H2,1-3H3.
What are the key properties of [3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone?
[3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone has a molecular weight of 361.45 g/mol, XLogP of 0.82, 6 rotatable bonds, 1 hydrogen bond donors, and 7 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]-[4-(2-methoxyethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 156585343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).