N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide

C17H14FN7O — CID 87008563

IUPACN-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1nn(C)c2ncc(C(=O)Nc3ccc(-n4cncn4)c(F)c3)cc12
InChIInChI=1S/C17H14FN7O/c1-10-13-5-11(7-20-16(13)24(2)23-10)17(26)22-12-3-4-15(14(18)6-12)25-9-19-8-21-25/h3-9H,1-2H3,(H,22,26)
InChIKeyBAXTXUYFUVXMRK-UHFFFAOYSA-N
MW351.35 g/mol
LogP2.25
Rot. Bonds3

About N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide

N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 87008563) has the molecular formula C17H14FN7O and a molecular weight of 351.35 g/mol. Its IUPAC name is N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
PubChem CID87008563
Molecular FormulaC17H14FN7O
Molecular Weight351.35 g/mol
Exact Mass351.12
IUPAC NameN-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1nn(C)c2ncc(C(=O)Nc3ccc(-n4cncn4)c(F)c3)cc12
InChIInChI=1S/C17H14FN7O/c1-10-13-5-11(7-20-16(13)24(2)23-10)17(26)22-12-3-4-15(14(18)6-12)25-9-19-8-21-25/h3-9H,1-2H3,(H,22,26)
InChIKeyBAXTXUYFUVXMRK-UHFFFAOYSA-N
XLogP2.25
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide (CID 87008563) is N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide is Cc1nn(C)c2ncc(C(=O)Nc3ccc(-n4cncn4)c(F)c3)cc12.
What is the InChIKey of N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is BAXTXUYFUVXMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN7O/c1-10-13-5-11(7-20-16(13)24(2)23-10)17(26)22-12-3-4-15(14(18)6-12)25-9-19-8-21-25/h3-9H,1-2H3,(H,22,26).
What are the key properties of N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide?
N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 351.35 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 87008563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).