3-[3-(difluoromethoxy)phenyl]-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide

C23H28F2N4O3 — CID 162358901

IUPAC3-[3-(difluoromethoxy)phenyl]-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide
SMILESCC(C)n1nc(-c2cccc(OC(F)F)c2)c2ncc(C(=O)NC(C)(C)C(C)(C)O)cc21
InChIInChI=1S/C23H28F2N4O3/c1-13(2)29-17-11-15(20(30)27-22(3,4)23(5,6)31)12-26-19(17)18(28-29)14-8-7-9-16(10-14)32-21(24)25/h7-13,21,31H,1-6H3,(H,27,30)
InChIKeyHQNAVGBFGISSER-UHFFFAOYSA-N
MW446.50 g/mol
LogP4.56
Rot. Bonds7

About 3-[3-(difluoromethoxy)phenyl]-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide

3-[3-(difluoromethoxy)phenyl]-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide (PubChem CID 162358901) has the molecular formula C23H28F2N4O3 and a molecular weight of 446.50 g/mol. Its IUPAC name is 3-[3-(difluoromethoxy)phenyl]-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-[3-(difluoromethoxy)phenyl]-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide
PubChem CID162358901
Molecular FormulaC23H28F2N4O3
Molecular Weight446.50 g/mol
Exact Mass446.21
IUPAC Name3-[3-(difluoromethoxy)phenyl]-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide
SMILESCC(C)n1nc(-c2cccc(OC(F)F)c2)c2ncc(C(=O)NC(C)(C)C(C)(C)O)cc21
InChIInChI=1S/C23H28F2N4O3/c1-13(2)29-17-11-15(20(30)27-22(3,4)23(5,6)31)12-26-19(17)18(28-29)14-8-7-9-16(10-14)32-21(24)25/h7-13,21,31H,1-6H3,(H,27,30)
InChIKeyHQNAVGBFGISSER-UHFFFAOYSA-N
XLogP4.56
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(difluoromethoxy)phenyl]-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide?
The IUPAC name of 3-[3-(difluoromethoxy)phenyl]-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide (CID 162358901) is 3-[3-(difluoromethoxy)phenyl]-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide.
What is the SMILES notation for 3-[3-(difluoromethoxy)phenyl]-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide?
The canonical SMILES for 3-[3-(difluoromethoxy)phenyl]-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide is CC(C)n1nc(-c2cccc(OC(F)F)c2)c2ncc(C(=O)NC(C)(C)C(C)(C)O)cc21.
What is the InChIKey of 3-[3-(difluoromethoxy)phenyl]-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide?
The InChIKey is HQNAVGBFGISSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F2N4O3/c1-13(2)29-17-11-15(20(30)27-22(3,4)23(5,6)31)12-26-19(17)18(28-29)14-8-7-9-16(10-14)32-21(24)25/h7-13,21,31H,1-6H3,(H,27,30).
What are the key properties of 3-[3-(difluoromethoxy)phenyl]-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide?
3-[3-(difluoromethoxy)phenyl]-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide has a molecular weight of 446.50 g/mol, XLogP of 4.56, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(difluoromethoxy)phenyl]-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide is sourced from PubChem (CID 162358901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).