4-[6-(1-aminocyclobutyl)pyrazolo[1,5-a]pyridin-3-yl]-2-(difluoromethoxy)-N-(2-fluorocyclopropyl)-6-methoxybenzamide

C23H23F3N4O3 — CID 155727556

IUPAC4-[6-(1-aminocyclobutyl)pyrazolo[1,5-a]pyridin-3-yl]-2-(difluoromethoxy)-N-(2-fluorocyclopropyl)-6-methoxybenzamide
SMILESCOc1cc(-c2cnn3cc(C4(N)CCC4)ccc23)cc(OC(F)F)c1C(=O)NC1CC1F
InChIInChI=1S/C23H23F3N4O3/c1-32-18-7-12(8-19(33-22(25)26)20(18)21(31)29-16-9-15(16)24)14-10-28-30-11-13(3-4-17(14)30)23(27)5-2-6-23/h3-4,7-8,10-11,15-16,22H,2,5-6,9,27H2,1H3,(H,29,31)
InChIKeyGBUUQVYFYZQGFY-UHFFFAOYSA-N
MW460.46 g/mol
LogP3.79
Rot. Bonds7

About 4-[6-(1-aminocyclobutyl)pyrazolo[1,5-a]pyridin-3-yl]-2-(difluoromethoxy)-N-(2-fluorocyclopropyl)-6-methoxybenzamide

4-[6-(1-aminocyclobutyl)pyrazolo[1,5-a]pyridin-3-yl]-2-(difluoromethoxy)-N-(2-fluorocyclopropyl)-6-methoxybenzamide (PubChem CID 155727556) has the molecular formula C23H23F3N4O3 and a molecular weight of 460.46 g/mol. Its IUPAC name is 4-[6-(1-aminocyclobutyl)pyrazolo[1,5-a]pyridin-3-yl]-2-(difluoromethoxy)-N-(2-fluorocyclopropyl)-6-methoxybenzamide.

Molecular Properties

Compound Name4-[6-(1-aminocyclobutyl)pyrazolo[1,5-a]pyridin-3-yl]-2-(difluoromethoxy)-N-(2-fluorocyclopropyl)-6-methoxybenzamide
PubChem CID155727556
Molecular FormulaC23H23F3N4O3
Molecular Weight460.46 g/mol
Exact Mass460.17
IUPAC Name4-[6-(1-aminocyclobutyl)pyrazolo[1,5-a]pyridin-3-yl]-2-(difluoromethoxy)-N-(2-fluorocyclopropyl)-6-methoxybenzamide
SMILESCOc1cc(-c2cnn3cc(C4(N)CCC4)ccc23)cc(OC(F)F)c1C(=O)NC1CC1F
InChIInChI=1S/C23H23F3N4O3/c1-32-18-7-12(8-19(33-22(25)26)20(18)21(31)29-16-9-15(16)24)14-10-28-30-11-13(3-4-17(14)30)23(27)5-2-6-23/h3-4,7-8,10-11,15-16,22H,2,5-6,9,27H2,1H3,(H,29,31)
InChIKeyGBUUQVYFYZQGFY-UHFFFAOYSA-N
XLogP3.79
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.46
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[6-(1-cyanocyclobutyl)pyrazolo[1,5-a]pyridin-3-yl]-2-(difluoromethoxy)-N-[(1R,2S)-2-fluorocyclopropyl]-6-methoxybenzamide
CID 155340397
4-[6-[1-(cyanomethylamino)cyclobutyl]pyrazolo[1,5-a]pyridin-3-yl]-2-(difluoromethoxy)-N-[(1R,2S)-2-fluorocyclopropyl]-6-methoxybenzamide
CID 155727331
2-(difluoromethoxy)-N-(2-fluorocyclopropyl)-4-[6-(1-hydroxy-2-methylpropan-2-yl)oxypyrazolo[1,5-a]pyridin-3-yl]-6-methoxybenzamide
CID 155727757
1-[3-[3-(difluoromethoxy)-4-[2-[(1R,2S)-2-fluorocyclopropyl]acetyl]-5-methoxyphenyl]pyrazolo[1,5-a]pyridin-6-yl]cyclobutane-1-carbonitrile
CID 167712173
2-[[1-[3-[3-(difluoromethoxy)-4-[2-[(1R,2S)-2-fluorocyclopropyl]acetyl]-5-methoxyphenyl]pyrazolo[1,5-a]pyridin-6-yl]cyclobutyl]amino]acetonitrile
CID 167656907
4-[6-(2-cyanopropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-(difluoromethoxy)-N-(2-fluorocyclopropyl)-6-methoxybenzamide;formonitrile
CID 155727298
[2-[3-[3-(difluoromethoxy)-4-[(2-fluorocyclopropyl)carbamoyl]-5-methoxyphenyl]pyrazolo[1,5-a]pyridin-6-yl]-2-methylpropyl] methanesulfinate
CID 155727543
2-(difluoromethoxy)-N-[(1R,2S)-2-fluorocyclopropyl]-6-methoxy-4-[6-(2-methyl-1-morpholin-4-ylpropan-2-yl)oxypyrazolo[1,5-a]pyridin-3-yl]benzamide
CID 161123848
N-[(1R,2S)-2-fluorocyclopropyl]-2-(1-fluoroprop-2-enoxy)-4-[6-(2-hydroxypropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-6-methoxybenzamide
CID 155349758
4-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide
CID 166064399
4-[6-(2-cyanopropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-(difluoromethoxy)-N-[(1R,2S)-2-fluorocyclopropyl]-6-methoxybenzamide;2-(difluoromethoxy)-N-[(1R,2S)-2-fluorocyclopropyl]-6-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide;2-(3-iodopyrazolo[1,5-a]pyridin-6-yl)-2-methylpropanenitrile
CID 167617518
1-[2-(difluoromethoxy)-4-[6-(1,1-dihydroxy-2-methylpropan-2-yl)oxypyrazolo[1,5-a]pyridin-3-yl]-6-methoxyphenyl]-2-[(1R,2S)-2-fluorocyclopropyl]ethanone
CID 167636752

Frequently Asked Questions

What is the IUPAC name of 4-[6-(1-aminocyclobutyl)pyrazolo[1,5-a]pyridin-3-yl]-2-(difluoromethoxy)-N-(2-fluorocyclopropyl)-6-methoxybenzamide?
The IUPAC name of 4-[6-(1-aminocyclobutyl)pyrazolo[1,5-a]pyridin-3-yl]-2-(difluoromethoxy)-N-(2-fluorocyclopropyl)-6-methoxybenzamide (CID 155727556) is 4-[6-(1-aminocyclobutyl)pyrazolo[1,5-a]pyridin-3-yl]-2-(difluoromethoxy)-N-(2-fluorocyclopropyl)-6-methoxybenzamide.
What is the SMILES notation for 4-[6-(1-aminocyclobutyl)pyrazolo[1,5-a]pyridin-3-yl]-2-(difluoromethoxy)-N-(2-fluorocyclopropyl)-6-methoxybenzamide?
The canonical SMILES for 4-[6-(1-aminocyclobutyl)pyrazolo[1,5-a]pyridin-3-yl]-2-(difluoromethoxy)-N-(2-fluorocyclopropyl)-6-methoxybenzamide is COc1cc(-c2cnn3cc(C4(N)CCC4)ccc23)cc(OC(F)F)c1C(=O)NC1CC1F.
What is the InChIKey of 4-[6-(1-aminocyclobutyl)pyrazolo[1,5-a]pyridin-3-yl]-2-(difluoromethoxy)-N-(2-fluorocyclopropyl)-6-methoxybenzamide?
The InChIKey is GBUUQVYFYZQGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O3/c1-32-18-7-12(8-19(33-22(25)26)20(18)21(31)29-16-9-15(16)24)14-10-28-30-11-13(3-4-17(14)30)23(27)5-2-6-23/h3-4,7-8,10-11,15-16,22H,2,5-6,9,27H2,1H3,(H,29,31).
What are the key properties of 4-[6-(1-aminocyclobutyl)pyrazolo[1,5-a]pyridin-3-yl]-2-(difluoromethoxy)-N-(2-fluorocyclopropyl)-6-methoxybenzamide?
4-[6-(1-aminocyclobutyl)pyrazolo[1,5-a]pyridin-3-yl]-2-(difluoromethoxy)-N-(2-fluorocyclopropyl)-6-methoxybenzamide has a molecular weight of 460.46 g/mol, XLogP of 3.79, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(1-aminocyclobutyl)pyrazolo[1,5-a]pyridin-3-yl]-2-(difluoromethoxy)-N-(2-fluorocyclopropyl)-6-methoxybenzamide is sourced from PubChem (CID 155727556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).