3-cyclopropyl-5-fluoro-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]benzamide

C23H20F4N4O — CID 177051823

About 3-cyclopropyl-5-fluoro-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]benzamide

3-cyclopropyl-5-fluoro-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]benzamide (PubChem CID 177051823) has the molecular formula C23H20F4N4O and a molecular weight of 444.43 g/mol. Its IUPAC name is 3-cyclopropyl-5-fluoro-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]benzamide.

Molecular Properties

• Compound Name: 3-cyclopropyl-5-fluoro-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]benzamide
• PubChem CID: 177051823
• Molecular Formula: C23H20F4N4O
• Molecular Weight: 444.43 g/mol
• Exact Mass: 444.16
• IUPAC Name: 3-cyclopropyl-5-fluoro-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]benzamide
• SMILES: O=C(N[C@H]1CCCn2nc(-c3ccnc(C(F)(F)F)c3)cc21)c1cc(F)cc(C2CC2)c1
• InChI: InChI=1S/C23H20F4N4O/c24-17-9-15(13-3-4-13)8-16(10-17)22(32)29-18-2-1-7-31-20(18)12-19(30-31)14-5-6-28-21(11-14)23(25,26)27/h5-6,8-13,18H,1-4,7H2,(H,29,32)/t18-/m0/s1
• InChIKey: NYCBWBMCNOFKGI-SFHVURJKSA-N
• XLogP: 5.25
• TPSA: 59.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	444.43
LogP ≤ 5	5.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-fluoro-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]benzamide?

The IUPAC name of 3-cyclopropyl-5-fluoro-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]benzamide (CID 177051823) is 3-cyclopropyl-5-fluoro-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]benzamide.

What is the SMILES notation for 3-cyclopropyl-5-fluoro-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]benzamide?

The canonical SMILES for 3-cyclopropyl-5-fluoro-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]benzamide is O=C(N[C@H]1CCCn2nc(-c3ccnc(C(F)(F)F)c3)cc21)c1cc(F)cc(C2CC2)c1.

What is the InChIKey of 3-cyclopropyl-5-fluoro-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]benzamide?

The InChIKey is NYCBWBMCNOFKGI-SFHVURJKSA-N. The full InChI is InChI=1S/C23H20F4N4O/c24-17-9-15(13-3-4-13)8-16(10-17)22(32)29-18-2-1-7-31-20(18)12-19(30-31)14-5-6-28-21(11-14)23(25,26)27/h5-6,8-13,18H,1-4,7H2,(H,29,32)/t18-/m0/s1.

What are the key properties of 3-cyclopropyl-5-fluoro-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]benzamide?

3-cyclopropyl-5-fluoro-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]benzamide has a molecular weight of 444.43 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopropyl-5-fluoro-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]benzamide is sourced from PubChem (CID 177051823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).