3-[3-(difluoromethoxy)phenyl]-N-[(1S,2R)-2-hydroxycyclopentyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide

C22H24F2N4O3 — CID 162358898

IUPAC3-[3-(difluoromethoxy)phenyl]-N-[(1S,2R)-2-hydroxycyclopentyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide
SMILESCC(C)n1nc(-c2cccc(OC(F)F)c2)c2ncc(C(=O)N[C@H]3CCC[C@H]3O)cc21
InChIInChI=1S/C22H24F2N4O3/c1-12(2)28-17-10-14(21(30)26-16-7-4-8-18(16)29)11-25-20(17)19(27-28)13-5-3-6-15(9-13)31-22(23)24/h3,5-6,9-12,16,18,22,29H,4,7-8H2,1-2H3,(H,26,30)/t16-,18+/m0/s1
InChIKeyVPOCTKHMZOUVFU-FUHWJXTLSA-N
MW430.46 g/mol
LogP3.92
Rot. Bonds6

About 3-[3-(difluoromethoxy)phenyl]-N-[(1S,2R)-2-hydroxycyclopentyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide

3-[3-(difluoromethoxy)phenyl]-N-[(1S,2R)-2-hydroxycyclopentyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide (PubChem CID 162358898) has the molecular formula C22H24F2N4O3 and a molecular weight of 430.46 g/mol. Its IUPAC name is 3-[3-(difluoromethoxy)phenyl]-N-[(1S,2R)-2-hydroxycyclopentyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-[3-(difluoromethoxy)phenyl]-N-[(1S,2R)-2-hydroxycyclopentyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide
PubChem CID162358898
Molecular FormulaC22H24F2N4O3
Molecular Weight430.46 g/mol
Exact Mass430.18
IUPAC Name3-[3-(difluoromethoxy)phenyl]-N-[(1S,2R)-2-hydroxycyclopentyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide
SMILESCC(C)n1nc(-c2cccc(OC(F)F)c2)c2ncc(C(=O)N[C@H]3CCC[C@H]3O)cc21
InChIInChI=1S/C22H24F2N4O3/c1-12(2)28-17-10-14(21(30)26-16-7-4-8-18(16)29)11-25-20(17)19(27-28)13-5-3-6-15(9-13)31-22(23)24/h3,5-6,9-12,16,18,22,29H,4,7-8H2,1-2H3,(H,26,30)/t16-,18+/m0/s1
InChIKeyVPOCTKHMZOUVFU-FUHWJXTLSA-N
XLogP3.92
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[3-(difluoromethoxy)phenyl]-N-[(1S,2R)-2-hydroxycyclopentyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-(difluoromethoxy)phenyl]-N-[(1S,2R)-2-hydroxycyclopentyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide?
The IUPAC name of 3-[3-(difluoromethoxy)phenyl]-N-[(1S,2R)-2-hydroxycyclopentyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide (CID 162358898) is 3-[3-(difluoromethoxy)phenyl]-N-[(1S,2R)-2-hydroxycyclopentyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide.
What is the SMILES notation for 3-[3-(difluoromethoxy)phenyl]-N-[(1S,2R)-2-hydroxycyclopentyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide?
The canonical SMILES for 3-[3-(difluoromethoxy)phenyl]-N-[(1S,2R)-2-hydroxycyclopentyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide is CC(C)n1nc(-c2cccc(OC(F)F)c2)c2ncc(C(=O)N[C@H]3CCC[C@H]3O)cc21.
What is the InChIKey of 3-[3-(difluoromethoxy)phenyl]-N-[(1S,2R)-2-hydroxycyclopentyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide?
The InChIKey is VPOCTKHMZOUVFU-FUHWJXTLSA-N. The full InChI is InChI=1S/C22H24F2N4O3/c1-12(2)28-17-10-14(21(30)26-16-7-4-8-18(16)29)11-25-20(17)19(27-28)13-5-3-6-15(9-13)31-22(23)24/h3,5-6,9-12,16,18,22,29H,4,7-8H2,1-2H3,(H,26,30)/t16-,18+/m0/s1.
What are the key properties of 3-[3-(difluoromethoxy)phenyl]-N-[(1S,2R)-2-hydroxycyclopentyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide?
3-[3-(difluoromethoxy)phenyl]-N-[(1S,2R)-2-hydroxycyclopentyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide has a molecular weight of 430.46 g/mol, XLogP of 3.92, 6 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-[(1S,2R)-2-hydroxycyclopentyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide is sourced from PubChem (CID 162358898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).