3-(2,6-difluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide

C23H25F2N3O2 — CID 162773953

IUPAC3-(2,6-difluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide
SMILESCc1nn2c(C(C)C)c(C(=O)NCC3(O)CCC3)ccc2c1-c1c(F)cccc1F
InChIInChI=1S/C23H25F2N3O2/c1-13(2)21-15(22(29)26-12-23(30)10-5-11-23)8-9-18-19(14(3)27-28(18)21)20-16(24)6-4-7-17(20)25/h4,6-9,13,30H,5,10-12H2,1-3H3,(H,26,29)
InChIKeyUXFKGPJSSKKFMR-UHFFFAOYSA-N
MW413.47 g/mol
LogP4.36
Rot. Bonds5

About 3-(2,6-difluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide

3-(2,6-difluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide (PubChem CID 162773953) has the molecular formula C23H25F2N3O2 and a molecular weight of 413.47 g/mol. Its IUPAC name is 3-(2,6-difluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-(2,6-difluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide
PubChem CID162773953
Molecular FormulaC23H25F2N3O2
Molecular Weight413.47 g/mol
Exact Mass413.19
IUPAC Name3-(2,6-difluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide
SMILESCc1nn2c(C(C)C)c(C(=O)NCC3(O)CCC3)ccc2c1-c1c(F)cccc1F
InChIInChI=1S/C23H25F2N3O2/c1-13(2)21-15(22(29)26-12-23(30)10-5-11-23)8-9-18-19(14(3)27-28(18)21)20-16(24)6-4-7-17(20)25/h4,6-9,13,30H,5,10-12H2,1-3H3,(H,26,29)
InChIKeyUXFKGPJSSKKFMR-UHFFFAOYSA-N
XLogP4.36
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,6-difluorophenyl)-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide
CID 162773965
3-(2,6-difluorophenyl)-2-methyl-N-(4-methyloxan-4-yl)-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide
CID 162773874
3-(2,6-difluorophenyl)-2-methyl-N-[4-(4-methylphenyl)oxan-4-yl]-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide
CID 162773884
3-(2-fluoro-6-hydroxyphenyl)-N-[(2-methoxyphenyl)methyl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide
CID 166973074
3-(2,6-difluorophenyl)-N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide
CID 177097844
N-[cyclopropyl(phenyl)methyl]-3-(2,6-difluorophenyl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide
CID 162773854
3-(2,6-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide
CID 153392892
3-(2,6-difluorophenyl)-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide
CID 166973079
2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-3-methylbenzamide
CID 80711895
1-(3-fluoro-2-methylphenyl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111521389
2-fluoro-N-[(1-hydroxycyclobutyl)methyl]-3-(trifluoromethyl)benzamide
CID 111859437
N-[(1-hydroxycyclobutyl)methyl]-2,4-dimethylbenzamide
CID 111445481

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide?
The IUPAC name of 3-(2,6-difluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide (CID 162773953) is 3-(2,6-difluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide.
What is the SMILES notation for 3-(2,6-difluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide?
The canonical SMILES for 3-(2,6-difluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide is Cc1nn2c(C(C)C)c(C(=O)NCC3(O)CCC3)ccc2c1-c1c(F)cccc1F.
What is the InChIKey of 3-(2,6-difluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide?
The InChIKey is UXFKGPJSSKKFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N3O2/c1-13(2)21-15(22(29)26-12-23(30)10-5-11-23)8-9-18-19(14(3)27-28(18)21)20-16(24)6-4-7-17(20)25/h4,6-9,13,30H,5,10-12H2,1-3H3,(H,26,29).
What are the key properties of 3-(2,6-difluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide?
3-(2,6-difluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide has a molecular weight of 413.47 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide is sourced from PubChem (CID 162773953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).