2-[1-(3-methyl-4-pyridinyl)-5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)-1,2,4-triazol-3-yl]acetamide

C17H19N7O — CID 146038994

IUPAC2-[1-(3-methyl-4-pyridinyl)-5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)-1,2,4-triazol-3-yl]acetamide
SMILESCc1cnccc1-n1nc(CC(N)=O)nc1C1CCn2nccc2C1
InChIInChI=1S/C17H19N7O/c1-11-10-19-5-3-14(11)24-17(21-16(22-24)9-15(18)25)12-4-7-23-13(8-12)2-6-20-23/h2-3,5-6,10,12H,4,7-9H2,1H3,(H2,18,25)
InChIKeyBFIGWBOPCJPWSD-UHFFFAOYSA-N
MW337.39 g/mol
LogP0.93
Rot. Bonds4

About 2-[1-(3-methyl-4-pyridinyl)-5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)-1,2,4-triazol-3-yl]acetamide

2-[1-(3-methyl-4-pyridinyl)-5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)-1,2,4-triazol-3-yl]acetamide (PubChem CID 146038994) has the molecular formula C17H19N7O and a molecular weight of 337.39 g/mol. Its IUPAC name is 2-[1-(3-methyl-4-pyridinyl)-5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-(3-methyl-4-pyridinyl)-5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)-1,2,4-triazol-3-yl]acetamide
PubChem CID146038994
Molecular FormulaC17H19N7O
Molecular Weight337.39 g/mol
Exact Mass337.17
IUPAC Name2-[1-(3-methyl-4-pyridinyl)-5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)-1,2,4-triazol-3-yl]acetamide
SMILESCc1cnccc1-n1nc(CC(N)=O)nc1C1CCn2nccc2C1
InChIInChI=1S/C17H19N7O/c1-11-10-19-5-3-14(11)24-17(21-16(22-24)9-15(18)25)12-4-7-23-13(8-12)2-6-20-23/h2-3,5-6,10,12H,4,7-9H2,1H3,(H2,18,25)
InChIKeyBFIGWBOPCJPWSD-UHFFFAOYSA-N
XLogP0.93
TPSA104.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-(2,3-dimethylphenyl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1,2,4-triazol-3-yl]acetamide
CID 146040623
4-[1-(2-methylpyrazol-3-yl)-5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)-1,2,4-triazol-3-yl]benzamide
CID 146043828
5-[5-methyl-2-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 155493616
2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1,2,4-triazol-3-yl]acetamide
CID 146039708
acetic acid;(1R,2R,4S)-2-amino-4-[5-[(2-methoxyphenyl)methyl]-2-(3-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]cyclohexan-1-ol
CID 155972206
(1R,2R,4S)-2-amino-4-[5-[(2-methoxyphenyl)methyl]-2-(3-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]cyclohexan-1-ol
CID 155916317
5-[5-(2-methylpropyl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 146042624
2-[1-(1-methylpyrazol-4-yl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]acetamide
CID 154819491
formic acid;4-[1-[2-(1H-imidazol-5-yl)ethyl]-5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)-1,2,4-triazol-3-yl]benzamide
CID 163334747
3-methyl-4-[5-[(2S)-oxolan-2-yl]-3-propan-2-yl-1,2,4-triazol-1-yl]pyridine
CID 95125083
(3S)-3-[2-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]piperidine-1-carboxamide
CID 97281709
2-[5-(2-propan-2-ylpyrazol-3-yl)-1-pyridin-3-yl-1,2,4-triazol-3-yl]acetamide
CID 169421466

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methyl-4-pyridinyl)-5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-[1-(3-methyl-4-pyridinyl)-5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)-1,2,4-triazol-3-yl]acetamide (CID 146038994) is 2-[1-(3-methyl-4-pyridinyl)-5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-[1-(3-methyl-4-pyridinyl)-5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-[1-(3-methyl-4-pyridinyl)-5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)-1,2,4-triazol-3-yl]acetamide is Cc1cnccc1-n1nc(CC(N)=O)nc1C1CCn2nccc2C1.
What is the InChIKey of 2-[1-(3-methyl-4-pyridinyl)-5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)-1,2,4-triazol-3-yl]acetamide?
The InChIKey is BFIGWBOPCJPWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O/c1-11-10-19-5-3-14(11)24-17(21-16(22-24)9-15(18)25)12-4-7-23-13(8-12)2-6-20-23/h2-3,5-6,10,12H,4,7-9H2,1H3,(H2,18,25).
What are the key properties of 2-[1-(3-methyl-4-pyridinyl)-5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)-1,2,4-triazol-3-yl]acetamide?
2-[1-(3-methyl-4-pyridinyl)-5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)-1,2,4-triazol-3-yl]acetamide has a molecular weight of 337.39 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methyl-4-pyridinyl)-5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 146038994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).