3-(methoxymethyl)-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide

C19H18N6O2 — CID 165415010

IUPAC3-(methoxymethyl)-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
SMILESCOCc1cc(C(=O)Nc2ccn3nc(-c4ccccc4)nc3c2)n(C)n1
InChIInChI=1S/C19H18N6O2/c1-24-16(10-15(22-24)12-27-2)19(26)20-14-8-9-25-17(11-14)21-18(23-25)13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,20,26)
InChIKeyZDKMLQXSPFZTOJ-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.53
Rot. Bonds5

About 3-(methoxymethyl)-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide

3-(methoxymethyl)-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide (PubChem CID 165415010) has the molecular formula C19H18N6O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is 3-(methoxymethyl)-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(methoxymethyl)-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
PubChem CID165415010
Molecular FormulaC19H18N6O2
Molecular Weight362.39 g/mol
Exact Mass362.15
IUPAC Name3-(methoxymethyl)-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
SMILESCOCc1cc(C(=O)Nc2ccn3nc(-c4ccccc4)nc3c2)n(C)n1
InChIInChI=1S/C19H18N6O2/c1-24-16(10-15(22-24)12-27-2)19(26)20-14-8-9-25-17(11-14)21-18(23-25)13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,20,26)
InChIKeyZDKMLQXSPFZTOJ-UHFFFAOYSA-N
XLogP2.53
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide?
The IUPAC name of 3-(methoxymethyl)-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide (CID 165415010) is 3-(methoxymethyl)-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 3-(methoxymethyl)-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide?
The canonical SMILES for 3-(methoxymethyl)-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide is COCc1cc(C(=O)Nc2ccn3nc(-c4ccccc4)nc3c2)n(C)n1.
What is the InChIKey of 3-(methoxymethyl)-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide?
The InChIKey is ZDKMLQXSPFZTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2/c1-24-16(10-15(22-24)12-27-2)19(26)20-14-8-9-25-17(11-14)21-18(23-25)13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,20,26).
What are the key properties of 3-(methoxymethyl)-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide?
3-(methoxymethyl)-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide has a molecular weight of 362.39 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 165415010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).