1-methyl-6-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridine-5-carboxamide

C19H17F3N8O2 — CID 171483473

IUPAC1-methyl-6-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)c2cc3c(C(F)(F)F)nn(C)c3[nH]c2=O)n1
InChIInChI=1S/C19H17F3N8O2/c1-9(2)30-8-23-27-16(30)12-5-4-6-13(24-12)25-17(31)11-7-10-14(19(20,21)22)28-29(3)15(10)26-18(11)32/h4-9H,1-3H3,(H,26,32)(H,24,25,31)
InChIKeyADIIHOLPIKBXOI-UHFFFAOYSA-N
MW446.39 g/mol
LogP2.77
Rot. Bonds4

About 1-methyl-6-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridine-5-carboxamide

1-methyl-6-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 171483473) has the molecular formula C19H17F3N8O2 and a molecular weight of 446.39 g/mol. Its IUPAC name is 1-methyl-6-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-methyl-6-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridine-5-carboxamide
PubChem CID171483473
Molecular FormulaC19H17F3N8O2
Molecular Weight446.39 g/mol
Exact Mass446.14
IUPAC Name1-methyl-6-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)c2cc3c(C(F)(F)F)nn(C)c3[nH]c2=O)n1
InChIInChI=1S/C19H17F3N8O2/c1-9(2)30-8-23-27-16(30)12-5-4-6-13(24-12)25-17(31)11-7-10-14(19(20,21)22)28-29(3)15(10)26-18(11)32/h4-9H,1-3H3,(H,26,32)(H,24,25,31)
InChIKeyADIIHOLPIKBXOI-UHFFFAOYSA-N
XLogP2.77
TPSA123.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.39
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-methyl-6-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of 1-methyl-6-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridine-5-carboxamide (CID 171483473) is 1-methyl-6-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 1-methyl-6-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for 1-methyl-6-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridine-5-carboxamide is CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3c(C(F)(F)F)nn(C)c3[nH]c2=O)n1.
What is the InChIKey of 1-methyl-6-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is ADIIHOLPIKBXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N8O2/c1-9(2)30-8-23-27-16(30)12-5-4-6-13(24-12)25-17(31)11-7-10-14(19(20,21)22)28-29(3)15(10)26-18(11)32/h4-9H,1-3H3,(H,26,32)(H,24,25,31).
What are the key properties of 1-methyl-6-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridine-5-carboxamide?
1-methyl-6-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 446.39 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 171483473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).