3-tert-butyl-1-methyl-N-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-5-carboxamide

C20H21N7O — CID 155547970

IUPAC3-tert-butyl-1-methyl-N-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-5-carboxamide
SMILESCn1nc(C(C)(C)C)cc1C(=O)Nc1ccc2nc(-c3cccnc3)nn2c1
InChIInChI=1S/C20H21N7O/c1-20(2,3)16-10-15(26(4)24-16)19(28)22-14-7-8-17-23-18(25-27(17)12-14)13-6-5-9-21-11-13/h5-12H,1-4H3,(H,22,28)
InChIKeyZMHGIDSTAPEJMF-UHFFFAOYSA-N
MW375.44 g/mol
LogP3.07
Rot. Bonds3

About 3-tert-butyl-1-methyl-N-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-5-carboxamide

3-tert-butyl-1-methyl-N-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-5-carboxamide (PubChem CID 155547970) has the molecular formula C20H21N7O and a molecular weight of 375.44 g/mol. Its IUPAC name is 3-tert-butyl-1-methyl-N-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-1-methyl-N-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-5-carboxamide
PubChem CID155547970
Molecular FormulaC20H21N7O
Molecular Weight375.44 g/mol
Exact Mass375.18
IUPAC Name3-tert-butyl-1-methyl-N-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-5-carboxamide
SMILESCn1nc(C(C)(C)C)cc1C(=O)Nc1ccc2nc(-c3cccnc3)nn2c1
InChIInChI=1S/C20H21N7O/c1-20(2,3)16-10-15(26(4)24-16)19(28)22-14-7-8-17-23-18(25-27(17)12-14)13-6-5-9-21-11-13/h5-12H,1-4H3,(H,22,28)
InChIKeyZMHGIDSTAPEJMF-UHFFFAOYSA-N
XLogP3.07
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-methyl-N-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-5-carboxamide?
The IUPAC name of 3-tert-butyl-1-methyl-N-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-5-carboxamide (CID 155547970) is 3-tert-butyl-1-methyl-N-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 3-tert-butyl-1-methyl-N-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-5-carboxamide?
The canonical SMILES for 3-tert-butyl-1-methyl-N-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-5-carboxamide is Cn1nc(C(C)(C)C)cc1C(=O)Nc1ccc2nc(-c3cccnc3)nn2c1.
What is the InChIKey of 3-tert-butyl-1-methyl-N-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-5-carboxamide?
The InChIKey is ZMHGIDSTAPEJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O/c1-20(2,3)16-10-15(26(4)24-16)19(28)22-14-7-8-17-23-18(25-27(17)12-14)13-6-5-9-21-11-13/h5-12H,1-4H3,(H,22,28).
What are the key properties of 3-tert-butyl-1-methyl-N-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-5-carboxamide?
3-tert-butyl-1-methyl-N-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-5-carboxamide has a molecular weight of 375.44 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-methyl-N-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 155547970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).