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

C22H24F2N4O4 — CID 162359261

IUPAC3-[3-(difluoromethoxy)phenyl]-N-[3-(hydroxymethyl)oxolan-3-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide
SMILESCC(C)n1nc(-c2cccc(OC(F)F)c2)c2ncc(C(=O)NC3(CO)CCOC3)cc21
InChIInChI=1S/C22H24F2N4O4/c1-13(2)28-17-9-15(20(30)26-22(11-29)6-7-31-12-22)10-25-19(17)18(27-28)14-4-3-5-16(8-14)32-21(23)24/h3-5,8-10,13,21,29H,6-7,11-12H2,1-2H3,(H,26,30)
InChIKeyQRDVRGGHUAZWDK-UHFFFAOYSA-N
MW446.45 g/mol
LogP3.16
Rot. Bonds7

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

3-[3-(difluoromethoxy)phenyl]-N-[3-(hydroxymethyl)oxolan-3-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide (PubChem CID 162359261) has the molecular formula C22H24F2N4O4 and a molecular weight of 446.45 g/mol. Its IUPAC name is 3-[3-(difluoromethoxy)phenyl]-N-[3-(hydroxymethyl)oxolan-3-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-[3-(difluoromethoxy)phenyl]-N-[3-(hydroxymethyl)oxolan-3-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide
PubChem CID162359261
Molecular FormulaC22H24F2N4O4
Molecular Weight446.45 g/mol
Exact Mass446.18
IUPAC Name3-[3-(difluoromethoxy)phenyl]-N-[3-(hydroxymethyl)oxolan-3-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide
SMILESCC(C)n1nc(-c2cccc(OC(F)F)c2)c2ncc(C(=O)NC3(CO)CCOC3)cc21
InChIInChI=1S/C22H24F2N4O4/c1-13(2)28-17-9-15(20(30)26-22(11-29)6-7-31-12-22)10-25-19(17)18(27-28)14-4-3-5-16(8-14)32-21(23)24/h3-5,8-10,13,21,29H,6-7,11-12H2,1-2H3,(H,26,30)
InChIKeyQRDVRGGHUAZWDK-UHFFFAOYSA-N
XLogP3.16
TPSA98.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.45
LogP ≤ 53.16
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-[3-(hydroxymethyl)oxolan-3-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide?
The IUPAC name of 3-[3-(difluoromethoxy)phenyl]-N-[3-(hydroxymethyl)oxolan-3-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide (CID 162359261) is 3-[3-(difluoromethoxy)phenyl]-N-[3-(hydroxymethyl)oxolan-3-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide.
What is the SMILES notation for 3-[3-(difluoromethoxy)phenyl]-N-[3-(hydroxymethyl)oxolan-3-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide?
The canonical SMILES for 3-[3-(difluoromethoxy)phenyl]-N-[3-(hydroxymethyl)oxolan-3-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide is CC(C)n1nc(-c2cccc(OC(F)F)c2)c2ncc(C(=O)NC3(CO)CCOC3)cc21.
What is the InChIKey of 3-[3-(difluoromethoxy)phenyl]-N-[3-(hydroxymethyl)oxolan-3-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide?
The InChIKey is QRDVRGGHUAZWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N4O4/c1-13(2)28-17-9-15(20(30)26-22(11-29)6-7-31-12-22)10-25-19(17)18(27-28)14-4-3-5-16(8-14)32-21(23)24/h3-5,8-10,13,21,29H,6-7,11-12H2,1-2H3,(H,26,30).
What are the key properties of 3-[3-(difluoromethoxy)phenyl]-N-[3-(hydroxymethyl)oxolan-3-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide?
3-[3-(difluoromethoxy)phenyl]-N-[3-(hydroxymethyl)oxolan-3-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide has a molecular weight of 446.45 g/mol, XLogP of 3.16, 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-[3-(hydroxymethyl)oxolan-3-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide is sourced from PubChem (CID 162359261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).