N-[3-(4-fluorocyclohexa-2,4-dien-1-yl)-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-2-(1-methylcyclopropyl)acetamide

C20H23F4N3O — CID 177339373

About N-[3-(4-fluorocyclohexa-2,4-dien-1-yl)-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-2-(1-methylcyclopropyl)acetamide

N-[3-(4-fluorocyclohexa-2,4-dien-1-yl)-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-2-(1-methylcyclopropyl)acetamide (PubChem CID 177339373) has the molecular formula C20H23F4N3O and a molecular weight of 397.42 g/mol. Its IUPAC name is N-[3-(4-fluorocyclohexa-2,4-dien-1-yl)-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-2-(1-methylcyclopropyl)acetamide.

Molecular Properties

• Compound Name: N-[3-(4-fluorocyclohexa-2,4-dien-1-yl)-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-2-(1-methylcyclopropyl)acetamide
• PubChem CID: 177339373
• Molecular Formula: C20H23F4N3O
• Molecular Weight: 397.42 g/mol
• Exact Mass: 397.18
• IUPAC Name: N-[3-(4-fluorocyclohexa-2,4-dien-1-yl)-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-2-(1-methylcyclopropyl)acetamide
• SMILES: CC1(CC(=O)Nc2nn3c(c2C2C=CC(F)=CC2)CC(C(F)(F)F)CC3)CC1
• InChI: InChI=1S/C20H23F4N3O/c1-19(7-8-19)11-16(28)25-18-17(12-2-4-14(21)5-3-12)15-10-13(20(22,23)24)6-9-27(15)26-18/h2,4-5,12-13H,3,6-11H2,1H3,(H,25,26,28)
• InChIKey: BARYXHNMIFBTAY-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 46.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	397.42
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorocyclohexa-2,4-dien-1-yl)-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-2-(1-methylcyclopropyl)acetamide?

The IUPAC name of N-[3-(4-fluorocyclohexa-2,4-dien-1-yl)-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-2-(1-methylcyclopropyl)acetamide (CID 177339373) is N-[3-(4-fluorocyclohexa-2,4-dien-1-yl)-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-2-(1-methylcyclopropyl)acetamide.

What is the SMILES notation for N-[3-(4-fluorocyclohexa-2,4-dien-1-yl)-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-2-(1-methylcyclopropyl)acetamide?

The canonical SMILES for N-[3-(4-fluorocyclohexa-2,4-dien-1-yl)-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-2-(1-methylcyclopropyl)acetamide is CC1(CC(=O)Nc2nn3c(c2C2C=CC(F)=CC2)CC(C(F)(F)F)CC3)CC1.

What is the InChIKey of N-[3-(4-fluorocyclohexa-2,4-dien-1-yl)-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-2-(1-methylcyclopropyl)acetamide?

The InChIKey is BARYXHNMIFBTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F4N3O/c1-19(7-8-19)11-16(28)25-18-17(12-2-4-14(21)5-3-12)15-10-13(20(22,23)24)6-9-27(15)26-18/h2,4-5,12-13H,3,6-11H2,1H3,(H,25,26,28).

What are the key properties of N-[3-(4-fluorocyclohexa-2,4-dien-1-yl)-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-2-(1-methylcyclopropyl)acetamide?

N-[3-(4-fluorocyclohexa-2,4-dien-1-yl)-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-2-(1-methylcyclopropyl)acetamide has a molecular weight of 397.42 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(4-fluorocyclohexa-2,4-dien-1-yl)-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-2-(1-methylcyclopropyl)acetamide is sourced from PubChem (CID 177339373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).