1-(2-hydroxycyclobutyl)-3-[(7-methoxy-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]-5-(trifluoromethyl)pyridin-2-one

C24H21F3N8O4 — CID 164560177

About 1-(2-hydroxycyclobutyl)-3-[(7-methoxy-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]-5-(trifluoromethyl)pyridin-2-one

1-(2-hydroxycyclobutyl)-3-[(7-methoxy-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]-5-(trifluoromethyl)pyridin-2-one (PubChem CID 164560177) has the molecular formula C24H21F3N8O4 and a molecular weight of 542.48 g/mol. Its IUPAC name is 1-(2-hydroxycyclobutyl)-3-[(7-methoxy-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

• Compound Name: 1-(2-hydroxycyclobutyl)-3-[(7-methoxy-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]-5-(trifluoromethyl)pyridin-2-one
• PubChem CID: 164560177
• Molecular Formula: C24H21F3N8O4
• Molecular Weight: 542.48 g/mol
• Exact Mass: 542.16
• IUPAC Name: 1-(2-hydroxycyclobutyl)-3-[(7-methoxy-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]-5-(trifluoromethyl)pyridin-2-one
• SMILES: COc1c(Oc2cnn3ccncc23)cnc2nc(Nc3cc(C(F)(F)F)cn(C4CCC4O)c3=O)n(C)c12
• InChI: InChI=1S/C24H21F3N8O4/c1-33-19-20(38-2)18(39-17-10-30-35-6-5-28-8-15(17)35)9-29-21(19)32-23(33)31-13-7-12(24(25,26)27)11-34(22(13)37)14-3-4-16(14)36/h5-11,14,16,36H,3-4H2,1-2H3,(H,29,31,32)
• InChIKey: WPUPQQGWJGLZKB-UHFFFAOYSA-N
• XLogP: 3.43
• TPSA: 133.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	542.48
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxycyclobutyl)-3-[(7-methoxy-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]-5-(trifluoromethyl)pyridin-2-one?

The IUPAC name of 1-(2-hydroxycyclobutyl)-3-[(7-methoxy-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]-5-(trifluoromethyl)pyridin-2-one (CID 164560177) is 1-(2-hydroxycyclobutyl)-3-[(7-methoxy-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]-5-(trifluoromethyl)pyridin-2-one.

What is the SMILES notation for 1-(2-hydroxycyclobutyl)-3-[(7-methoxy-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]-5-(trifluoromethyl)pyridin-2-one?

The canonical SMILES for 1-(2-hydroxycyclobutyl)-3-[(7-methoxy-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]-5-(trifluoromethyl)pyridin-2-one is COc1c(Oc2cnn3ccncc23)cnc2nc(Nc3cc(C(F)(F)F)cn(C4CCC4O)c3=O)n(C)c12.

What is the InChIKey of 1-(2-hydroxycyclobutyl)-3-[(7-methoxy-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]-5-(trifluoromethyl)pyridin-2-one?

The InChIKey is WPUPQQGWJGLZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N8O4/c1-33-19-20(38-2)18(39-17-10-30-35-6-5-28-8-15(17)35)9-29-21(19)32-23(33)31-13-7-12(24(25,26)27)11-34(22(13)37)14-3-4-16(14)36/h5-11,14,16,36H,3-4H2,1-2H3,(H,29,31,32).

What are the key properties of 1-(2-hydroxycyclobutyl)-3-[(7-methoxy-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]-5-(trifluoromethyl)pyridin-2-one?

1-(2-hydroxycyclobutyl)-3-[(7-methoxy-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 542.48 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-hydroxycyclobutyl)-3-[(7-methoxy-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 164560177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).