N,6-dimethyl-1-propan-2-yl-N-(3,3,3-trifluoropropyl)pyrazolo[3,4-b]pyridine-4-carboxamide

C15H19F3N4O — CID 86833507

IUPACN,6-dimethyl-1-propan-2-yl-N-(3,3,3-trifluoropropyl)pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)N(C)CCC(F)(F)F)c2cnn(C(C)C)c2n1
InChIInChI=1S/C15H19F3N4O/c1-9(2)22-13-12(8-19-22)11(7-10(3)20-13)14(23)21(4)6-5-15(16,17)18/h7-9H,5-6H2,1-4H3
InChIKeySSNRTKNBVHXJCD-UHFFFAOYSA-N
MW328.34 g/mol
LogP3.35
Rot. Bonds4

About N,6-dimethyl-1-propan-2-yl-N-(3,3,3-trifluoropropyl)pyrazolo[3,4-b]pyridine-4-carboxamide

N,6-dimethyl-1-propan-2-yl-N-(3,3,3-trifluoropropyl)pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 86833507) has the molecular formula C15H19F3N4O and a molecular weight of 328.34 g/mol. Its IUPAC name is N,6-dimethyl-1-propan-2-yl-N-(3,3,3-trifluoropropyl)pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN,6-dimethyl-1-propan-2-yl-N-(3,3,3-trifluoropropyl)pyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID86833507
Molecular FormulaC15H19F3N4O
Molecular Weight328.34 g/mol
Exact Mass328.15
IUPAC NameN,6-dimethyl-1-propan-2-yl-N-(3,3,3-trifluoropropyl)pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)N(C)CCC(F)(F)F)c2cnn(C(C)C)c2n1
InChIInChI=1S/C15H19F3N4O/c1-9(2)22-13-12(8-19-22)11(7-10(3)20-13)14(23)21(4)6-5-15(16,17)18/h7-9H,5-6H2,1-4H3
InChIKeySSNRTKNBVHXJCD-UHFFFAOYSA-N
XLogP3.35
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-1-propan-2-yl-N-(3,3,3-trifluoropropyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N,6-dimethyl-1-propan-2-yl-N-(3,3,3-trifluoropropyl)pyrazolo[3,4-b]pyridine-4-carboxamide (CID 86833507) is N,6-dimethyl-1-propan-2-yl-N-(3,3,3-trifluoropropyl)pyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N,6-dimethyl-1-propan-2-yl-N-(3,3,3-trifluoropropyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N,6-dimethyl-1-propan-2-yl-N-(3,3,3-trifluoropropyl)pyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)N(C)CCC(F)(F)F)c2cnn(C(C)C)c2n1.
What is the InChIKey of N,6-dimethyl-1-propan-2-yl-N-(3,3,3-trifluoropropyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is SSNRTKNBVHXJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N4O/c1-9(2)22-13-12(8-19-22)11(7-10(3)20-13)14(23)21(4)6-5-15(16,17)18/h7-9H,5-6H2,1-4H3.
What are the key properties of N,6-dimethyl-1-propan-2-yl-N-(3,3,3-trifluoropropyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
N,6-dimethyl-1-propan-2-yl-N-(3,3,3-trifluoropropyl)pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 328.34 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-1-propan-2-yl-N-(3,3,3-trifluoropropyl)pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 86833507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).