[5-(aminomethyl)pyrazolo[1,5-a]pyridin-3-yl]-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

C16H16F3N7O — CID 166299513

IUPAC[5-(aminomethyl)pyrazolo[1,5-a]pyridin-3-yl]-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESCC1c2nnc(C(F)(F)F)n2CCN1C(=O)c1cnn2ccc(CN)cc12
InChIInChI=1S/C16H16F3N7O/c1-9-13-22-23-15(16(17,18)19)25(13)5-4-24(9)14(27)11-8-21-26-3-2-10(7-20)6-12(11)26/h2-3,6,8-9H,4-5,7,20H2,1H3
InChIKeyZVPFPWWKWMSMQZ-UHFFFAOYSA-N
MW379.35 g/mol
LogP1.62
Rot. Bonds2

About [5-(aminomethyl)pyrazolo[1,5-a]pyridin-3-yl]-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

[5-(aminomethyl)pyrazolo[1,5-a]pyridin-3-yl]-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (PubChem CID 166299513) has the molecular formula C16H16F3N7O and a molecular weight of 379.35 g/mol. Its IUPAC name is [5-(aminomethyl)pyrazolo[1,5-a]pyridin-3-yl]-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name[5-(aminomethyl)pyrazolo[1,5-a]pyridin-3-yl]-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
PubChem CID166299513
Molecular FormulaC16H16F3N7O
Molecular Weight379.35 g/mol
Exact Mass379.14
IUPAC Name[5-(aminomethyl)pyrazolo[1,5-a]pyridin-3-yl]-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESCC1c2nnc(C(F)(F)F)n2CCN1C(=O)c1cnn2ccc(CN)cc12
InChIInChI=1S/C16H16F3N7O/c1-9-13-22-23-15(16(17,18)19)25(13)5-4-24(9)14(27)11-8-21-26-3-2-10(7-20)6-12(11)26/h2-3,6,8-9H,4-5,7,20H2,1H3
InChIKeyZVPFPWWKWMSMQZ-UHFFFAOYSA-N
XLogP1.62
TPSA94.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.35
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [5-(aminomethyl)pyrazolo[1,5-a]pyridin-3-yl]-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [5-(aminomethyl)pyrazolo[1,5-a]pyridin-3-yl]-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The IUPAC name of [5-(aminomethyl)pyrazolo[1,5-a]pyridin-3-yl]-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (CID 166299513) is [5-(aminomethyl)pyrazolo[1,5-a]pyridin-3-yl]-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.
What is the SMILES notation for [5-(aminomethyl)pyrazolo[1,5-a]pyridin-3-yl]-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The canonical SMILES for [5-(aminomethyl)pyrazolo[1,5-a]pyridin-3-yl]-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is CC1c2nnc(C(F)(F)F)n2CCN1C(=O)c1cnn2ccc(CN)cc12.
What is the InChIKey of [5-(aminomethyl)pyrazolo[1,5-a]pyridin-3-yl]-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The InChIKey is ZVPFPWWKWMSMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N7O/c1-9-13-22-23-15(16(17,18)19)25(13)5-4-24(9)14(27)11-8-21-26-3-2-10(7-20)6-12(11)26/h2-3,6,8-9H,4-5,7,20H2,1H3.
What are the key properties of [5-(aminomethyl)pyrazolo[1,5-a]pyridin-3-yl]-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
[5-(aminomethyl)pyrazolo[1,5-a]pyridin-3-yl]-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone has a molecular weight of 379.35 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(aminomethyl)pyrazolo[1,5-a]pyridin-3-yl]-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 166299513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).