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

C23H26F2N4O4 — CID 162487578

IUPAC3-[3-(difluoromethoxy)phenyl]-N-[3-(1-hydroxyethyl)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(C(C)O)CCOC3)cc21
InChIInChI=1S/C23H26F2N4O4/c1-13(2)29-18-10-16(21(31)27-23(14(3)30)7-8-32-12-23)11-26-20(18)19(28-29)15-5-4-6-17(9-15)33-22(24)25/h4-6,9-11,13-14,22,30H,7-8,12H2,1-3H3,(H,27,31)
InChIKeyGPTLRKLYWANOIN-UHFFFAOYSA-N
MW460.48 g/mol
LogP3.55
Rot. Bonds7

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

3-[3-(difluoromethoxy)phenyl]-N-[3-(1-hydroxyethyl)oxolan-3-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide (PubChem CID 162487578) has the molecular formula C23H26F2N4O4 and a molecular weight of 460.48 g/mol. Its IUPAC name is 3-[3-(difluoromethoxy)phenyl]-N-[3-(1-hydroxyethyl)oxolan-3-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-[3-(difluoromethoxy)phenyl]-N-[3-(1-hydroxyethyl)oxolan-3-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide
PubChem CID162487578
Molecular FormulaC23H26F2N4O4
Molecular Weight460.48 g/mol
Exact Mass460.19
IUPAC Name3-[3-(difluoromethoxy)phenyl]-N-[3-(1-hydroxyethyl)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(C(C)O)CCOC3)cc21
InChIInChI=1S/C23H26F2N4O4/c1-13(2)29-18-10-16(21(31)27-23(14(3)30)7-8-32-12-23)11-26-20(18)19(28-29)15-5-4-6-17(9-15)33-22(24)25/h4-6,9-11,13-14,22,30H,7-8,12H2,1-3H3,(H,27,31)
InChIKeyGPTLRKLYWANOIN-UHFFFAOYSA-N
XLogP3.55
TPSA98.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.48
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[3-(difluoromethoxy)phenyl]-N-[(3R)-3-(hydroxymethyl)oxolan-3-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide
CID 162359325
1-[3-[3-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[(3R)-3-(hydroxymethyl)oxolan-3-yl]ethanone
CID 163426910
3-[3-(difluoromethoxy)phenyl]-N-[(2S)-2-hydroxycyclohexyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide
CID 166854557
3-[3-(difluoromethoxy)phenyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide
CID 162359050
3-[3-(difluoromethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carbaldehyde;ethane;methanol;N-methyloxolan-3-amine
CID 162359229
1-butan-2-yl-3-[3-(difluoromethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide
CID 162359399
3-[3-(difluoromethoxy)phenyl]-1-[(2R)-2-hydroxypropyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide
CID 162359235
3-[3-(difluoromethoxy)phenyl]-N-(3-methyl-1,1-dioxothiolan-3-yl)-1-(oxolan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide
CID 162358915
3-[3-(difluoromethoxy)phenyl]-1-[(3S)-3-fluorooxan-4-yl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide
CID 162359083
3-[3-(difluoromethoxy)phenyl]-1-[(3R)-3-fluorooxan-4-yl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide
CID 162359408
6-[3-(difluoromethoxy)benzenecarboximidoyl]-N-[4-[(1R)-1-hydroxyethyl]oxan-4-yl]-5-(propan-2-ylamino)pyridine-3-carboxamide
CID 162359303
3-[5-(difluoromethoxy)-2-fluorophenyl]-N-(3-methylthietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide
CID 162358879

Frequently Asked Questions

What is the IUPAC name of 3-[3-(difluoromethoxy)phenyl]-N-[3-(1-hydroxyethyl)oxolan-3-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide?
The IUPAC name of 3-[3-(difluoromethoxy)phenyl]-N-[3-(1-hydroxyethyl)oxolan-3-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide (CID 162487578) is 3-[3-(difluoromethoxy)phenyl]-N-[3-(1-hydroxyethyl)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-(1-hydroxyethyl)oxolan-3-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide?
The canonical SMILES for 3-[3-(difluoromethoxy)phenyl]-N-[3-(1-hydroxyethyl)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(C(C)O)CCOC3)cc21.
What is the InChIKey of 3-[3-(difluoromethoxy)phenyl]-N-[3-(1-hydroxyethyl)oxolan-3-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide?
The InChIKey is GPTLRKLYWANOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N4O4/c1-13(2)29-18-10-16(21(31)27-23(14(3)30)7-8-32-12-23)11-26-20(18)19(28-29)15-5-4-6-17(9-15)33-22(24)25/h4-6,9-11,13-14,22,30H,7-8,12H2,1-3H3,(H,27,31).
What are the key properties of 3-[3-(difluoromethoxy)phenyl]-N-[3-(1-hydroxyethyl)oxolan-3-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide?
3-[3-(difluoromethoxy)phenyl]-N-[3-(1-hydroxyethyl)oxolan-3-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide has a molecular weight of 460.48 g/mol, XLogP of 3.55, 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-(1-hydroxyethyl)oxolan-3-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide is sourced from PubChem (CID 162487578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).