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

C16H16F2N6O — CID 155598557

IUPACN-(4,4-difluorocyclohexyl)-5-imidazol-1-yl-1H-pyrazolo[3,4-c]pyridine-7-carboxamide
SMILESO=C(NC1CCC(F)(F)CC1)c1nc(-n2ccnc2)cc2cn[nH]c12
InChIInChI=1S/C16H16F2N6O/c17-16(18)3-1-11(2-4-16)21-15(25)14-13-10(8-20-23-13)7-12(22-14)24-6-5-19-9-24/h5-9,11H,1-4H2,(H,20,23)(H,21,25)
InChIKeyQUUMCOWLFWYBKE-UHFFFAOYSA-N
MW346.34 g/mol
LogP2.45
Rot. Bonds3

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

N-(4,4-difluorocyclohexyl)-5-imidazol-1-yl-1H-pyrazolo[3,4-c]pyridine-7-carboxamide (PubChem CID 155598557) has the molecular formula C16H16F2N6O and a molecular weight of 346.34 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)-5-imidazol-1-yl-1H-pyrazolo[3,4-c]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-(4,4-difluorocyclohexyl)-5-imidazol-1-yl-1H-pyrazolo[3,4-c]pyridine-7-carboxamide
PubChem CID155598557
Molecular FormulaC16H16F2N6O
Molecular Weight346.34 g/mol
Exact Mass346.14
IUPAC NameN-(4,4-difluorocyclohexyl)-5-imidazol-1-yl-1H-pyrazolo[3,4-c]pyridine-7-carboxamide
SMILESO=C(NC1CCC(F)(F)CC1)c1nc(-n2ccnc2)cc2cn[nH]c12
InChIInChI=1S/C16H16F2N6O/c17-16(18)3-1-11(2-4-16)21-15(25)14-13-10(8-20-23-13)7-12(22-14)24-6-5-19-9-24/h5-9,11H,1-4H2,(H,20,23)(H,21,25)
InChIKeyQUUMCOWLFWYBKE-UHFFFAOYSA-N
XLogP2.45
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluorocyclohexyl)-5-imidazol-1-yl-1H-pyrazolo[3,4-c]pyridine-7-carboxamide?
The IUPAC name of N-(4,4-difluorocyclohexyl)-5-imidazol-1-yl-1H-pyrazolo[3,4-c]pyridine-7-carboxamide (CID 155598557) is N-(4,4-difluorocyclohexyl)-5-imidazol-1-yl-1H-pyrazolo[3,4-c]pyridine-7-carboxamide.
What is the SMILES notation for N-(4,4-difluorocyclohexyl)-5-imidazol-1-yl-1H-pyrazolo[3,4-c]pyridine-7-carboxamide?
The canonical SMILES for N-(4,4-difluorocyclohexyl)-5-imidazol-1-yl-1H-pyrazolo[3,4-c]pyridine-7-carboxamide is O=C(NC1CCC(F)(F)CC1)c1nc(-n2ccnc2)cc2cn[nH]c12.
What is the InChIKey of N-(4,4-difluorocyclohexyl)-5-imidazol-1-yl-1H-pyrazolo[3,4-c]pyridine-7-carboxamide?
The InChIKey is QUUMCOWLFWYBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N6O/c17-16(18)3-1-11(2-4-16)21-15(25)14-13-10(8-20-23-13)7-12(22-14)24-6-5-19-9-24/h5-9,11H,1-4H2,(H,20,23)(H,21,25).
What are the key properties of N-(4,4-difluorocyclohexyl)-5-imidazol-1-yl-1H-pyrazolo[3,4-c]pyridine-7-carboxamide?
N-(4,4-difluorocyclohexyl)-5-imidazol-1-yl-1H-pyrazolo[3,4-c]pyridine-7-carboxamide has a molecular weight of 346.34 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluorocyclohexyl)-5-imidazol-1-yl-1H-pyrazolo[3,4-c]pyridine-7-carboxamide is sourced from PubChem (CID 155598557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).