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

C25H30F2N4O4 — CID 162359311

IUPAC3-[3-(difluoromethoxy)phenyl]-N-[4-(2-hydroxypropan-2-yl)oxan-4-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide
SMILESCC(C)n1nc(-c2cccc(OC(F)F)c2)c2ncc(C(=O)NC3(C(C)(C)O)CCOCC3)cc21
InChIInChI=1S/C25H30F2N4O4/c1-15(2)31-19-13-17(22(32)29-25(24(3,4)33)8-10-34-11-9-25)14-28-21(19)20(30-31)16-6-5-7-18(12-16)35-23(26)27/h5-7,12-15,23,33H,8-11H2,1-4H3,(H,29,32)
InChIKeyVMKRWKDCGBHXGQ-UHFFFAOYSA-N
MW488.54 g/mol
LogP4.33
Rot. Bonds7

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

3-[3-(difluoromethoxy)phenyl]-N-[4-(2-hydroxypropan-2-yl)oxan-4-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide (PubChem CID 162359311) has the molecular formula C25H30F2N4O4 and a molecular weight of 488.54 g/mol. Its IUPAC name is 3-[3-(difluoromethoxy)phenyl]-N-[4-(2-hydroxypropan-2-yl)oxan-4-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-[3-(difluoromethoxy)phenyl]-N-[4-(2-hydroxypropan-2-yl)oxan-4-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide
PubChem CID162359311
Molecular FormulaC25H30F2N4O4
Molecular Weight488.54 g/mol
Exact Mass488.22
IUPAC Name3-[3-(difluoromethoxy)phenyl]-N-[4-(2-hydroxypropan-2-yl)oxan-4-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide
SMILESCC(C)n1nc(-c2cccc(OC(F)F)c2)c2ncc(C(=O)NC3(C(C)(C)O)CCOCC3)cc21
InChIInChI=1S/C25H30F2N4O4/c1-15(2)31-19-13-17(22(32)29-25(24(3,4)33)8-10-34-11-9-25)14-28-21(19)20(30-31)16-6-5-7-18(12-16)35-23(26)27/h5-7,12-15,23,33H,8-11H2,1-4H3,(H,29,32)
InChIKeyVMKRWKDCGBHXGQ-UHFFFAOYSA-N
XLogP4.33
TPSA98.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.54
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(difluoromethoxy)phenyl]-N-[4-(2-hydroxypropan-2-yl)oxan-4-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide?
The IUPAC name of 3-[3-(difluoromethoxy)phenyl]-N-[4-(2-hydroxypropan-2-yl)oxan-4-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide (CID 162359311) is 3-[3-(difluoromethoxy)phenyl]-N-[4-(2-hydroxypropan-2-yl)oxan-4-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide.
What is the SMILES notation for 3-[3-(difluoromethoxy)phenyl]-N-[4-(2-hydroxypropan-2-yl)oxan-4-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide?
The canonical SMILES for 3-[3-(difluoromethoxy)phenyl]-N-[4-(2-hydroxypropan-2-yl)oxan-4-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide is CC(C)n1nc(-c2cccc(OC(F)F)c2)c2ncc(C(=O)NC3(C(C)(C)O)CCOCC3)cc21.
What is the InChIKey of 3-[3-(difluoromethoxy)phenyl]-N-[4-(2-hydroxypropan-2-yl)oxan-4-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide?
The InChIKey is VMKRWKDCGBHXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F2N4O4/c1-15(2)31-19-13-17(22(32)29-25(24(3,4)33)8-10-34-11-9-25)14-28-21(19)20(30-31)16-6-5-7-18(12-16)35-23(26)27/h5-7,12-15,23,33H,8-11H2,1-4H3,(H,29,32).
What are the key properties of 3-[3-(difluoromethoxy)phenyl]-N-[4-(2-hydroxypropan-2-yl)oxan-4-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide?
3-[3-(difluoromethoxy)phenyl]-N-[4-(2-hydroxypropan-2-yl)oxan-4-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide has a molecular weight of 488.54 g/mol, XLogP of 4.33, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(difluoromethoxy)phenyl]-N-[4-(2-hydroxypropan-2-yl)oxan-4-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide is sourced from PubChem (CID 162359311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).