N-(3,3-difluoropropyl)-5-imidazol-1-yl-1H-pyrazolo[3,4-c]pyridine-7-carboxamide

C13H12F2N6O — CID 155786465

IUPACN-(3,3-difluoropropyl)-5-imidazol-1-yl-1H-pyrazolo[3,4-c]pyridine-7-carboxamide
SMILESO=C(NCCC(F)F)c1nc(-n2ccnc2)cc2cn[nH]c12
InChIInChI=1S/C13H12F2N6O/c14-9(15)1-2-17-13(22)12-11-8(6-18-20-11)5-10(19-12)21-4-3-16-7-21/h3-7,9H,1-2H2,(H,17,22)(H,18,20)
InChIKeyJXUASJNRYWQJAZ-UHFFFAOYSA-N
MW306.28 g/mol
LogP1.53
Rot. Bonds5

About N-(3,3-difluoropropyl)-5-imidazol-1-yl-1H-pyrazolo[3,4-c]pyridine-7-carboxamide

N-(3,3-difluoropropyl)-5-imidazol-1-yl-1H-pyrazolo[3,4-c]pyridine-7-carboxamide (PubChem CID 155786465) has the molecular formula C13H12F2N6O and a molecular weight of 306.28 g/mol. Its IUPAC name is N-(3,3-difluoropropyl)-5-imidazol-1-yl-1H-pyrazolo[3,4-c]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-(3,3-difluoropropyl)-5-imidazol-1-yl-1H-pyrazolo[3,4-c]pyridine-7-carboxamide
PubChem CID155786465
Molecular FormulaC13H12F2N6O
Molecular Weight306.28 g/mol
Exact Mass306.10
IUPAC NameN-(3,3-difluoropropyl)-5-imidazol-1-yl-1H-pyrazolo[3,4-c]pyridine-7-carboxamide
SMILESO=C(NCCC(F)F)c1nc(-n2ccnc2)cc2cn[nH]c12
InChIInChI=1S/C13H12F2N6O/c14-9(15)1-2-17-13(22)12-11-8(6-18-20-11)5-10(19-12)21-4-3-16-7-21/h3-7,9H,1-2H2,(H,17,22)(H,18,20)
InChIKeyJXUASJNRYWQJAZ-UHFFFAOYSA-N
XLogP1.53
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoropropyl)-5-imidazol-1-yl-1H-pyrazolo[3,4-c]pyridine-7-carboxamide?
The IUPAC name of N-(3,3-difluoropropyl)-5-imidazol-1-yl-1H-pyrazolo[3,4-c]pyridine-7-carboxamide (CID 155786465) is N-(3,3-difluoropropyl)-5-imidazol-1-yl-1H-pyrazolo[3,4-c]pyridine-7-carboxamide.
What is the SMILES notation for N-(3,3-difluoropropyl)-5-imidazol-1-yl-1H-pyrazolo[3,4-c]pyridine-7-carboxamide?
The canonical SMILES for N-(3,3-difluoropropyl)-5-imidazol-1-yl-1H-pyrazolo[3,4-c]pyridine-7-carboxamide is O=C(NCCC(F)F)c1nc(-n2ccnc2)cc2cn[nH]c12.
What is the InChIKey of N-(3,3-difluoropropyl)-5-imidazol-1-yl-1H-pyrazolo[3,4-c]pyridine-7-carboxamide?
The InChIKey is JXUASJNRYWQJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N6O/c14-9(15)1-2-17-13(22)12-11-8(6-18-20-11)5-10(19-12)21-4-3-16-7-21/h3-7,9H,1-2H2,(H,17,22)(H,18,20).
What are the key properties of N-(3,3-difluoropropyl)-5-imidazol-1-yl-1H-pyrazolo[3,4-c]pyridine-7-carboxamide?
N-(3,3-difluoropropyl)-5-imidazol-1-yl-1H-pyrazolo[3,4-c]pyridine-7-carboxamide has a molecular weight of 306.28 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoropropyl)-5-imidazol-1-yl-1H-pyrazolo[3,4-c]pyridine-7-carboxamide is sourced from PubChem (CID 155786465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).