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

C23H23F3N4O3 — CID 155727556

Data last refreshed: (MolForge compound catalog, from PubChem)

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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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).

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