2,4,5-trimethyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyrazole-3-carboxamide

C14H16N6O — CID 138381067

IUPAC2,4,5-trimethyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyrazole-3-carboxamide
SMILESCc1nn(C)c(C(=O)NCc2[nH]nc3ncccc23)c1C
InChIInChI=1S/C14H16N6O/c1-8-9(2)19-20(3)12(8)14(21)16-7-11-10-5-4-6-15-13(10)18-17-11/h4-6H,7H2,1-3H3,(H,16,21)(H,15,17,18)
InChIKeyYTNJWVMANJDDJL-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.24
Rot. Bonds3

About 2,4,5-trimethyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyrazole-3-carboxamide

2,4,5-trimethyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyrazole-3-carboxamide (PubChem CID 138381067) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is 2,4,5-trimethyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name2,4,5-trimethyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyrazole-3-carboxamide
PubChem CID138381067
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC Name2,4,5-trimethyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyrazole-3-carboxamide
SMILESCc1nn(C)c(C(=O)NCc2[nH]nc3ncccc23)c1C
InChIInChI=1S/C14H16N6O/c1-8-9(2)19-20(3)12(8)14(21)16-7-11-10-5-4-6-15-13(10)18-17-11/h4-6H,7H2,1-3H3,(H,16,21)(H,15,17,18)
InChIKeyYTNJWVMANJDDJL-UHFFFAOYSA-N
XLogP1.24
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyrazole-3-carboxamide?
The IUPAC name of 2,4,5-trimethyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyrazole-3-carboxamide (CID 138381067) is 2,4,5-trimethyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 2,4,5-trimethyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyrazole-3-carboxamide?
The canonical SMILES for 2,4,5-trimethyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyrazole-3-carboxamide is Cc1nn(C)c(C(=O)NCc2[nH]nc3ncccc23)c1C.
What is the InChIKey of 2,4,5-trimethyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyrazole-3-carboxamide?
The InChIKey is YTNJWVMANJDDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O/c1-8-9(2)19-20(3)12(8)14(21)16-7-11-10-5-4-6-15-13(10)18-17-11/h4-6H,7H2,1-3H3,(H,16,21)(H,15,17,18).
What are the key properties of 2,4,5-trimethyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyrazole-3-carboxamide?
2,4,5-trimethyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyrazole-3-carboxamide has a molecular weight of 284.32 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 138381067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).