N-[2-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethyl]benzamide

C21H20F2N4O — CID 56753411

About N-[2-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethyl]benzamide

N-[2-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethyl]benzamide (PubChem CID 56753411) has the molecular formula C21H20F2N4O and a molecular weight of 382.41 g/mol. Its IUPAC name is N-[2-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethyl]benzamide.

Molecular Properties

• Compound Name: N-[2-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethyl]benzamide
• PubChem CID: 56753411
• Molecular Formula: C21H20F2N4O
• Molecular Weight: 382.41 g/mol
• Exact Mass: 382.16
• IUPAC Name: N-[2-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethyl]benzamide
• SMILES: O=C(NCCN1CCc2[nH]nc(-c3ccc(F)c(F)c3)c2C1)c1ccccc1
• InChI: InChI=1S/C21H20F2N4O/c22-17-7-6-15(12-18(17)23)20-16-13-27(10-8-19(16)25-26-20)11-9-24-21(28)14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,24,28)(H,25,26)
• InChIKey: ZSACSDDESDIDPS-UHFFFAOYSA-N
• XLogP: 3.14
• TPSA: 61.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.41
LogP ≤ 5	3.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethyl]benzamide?

The IUPAC name of N-[2-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethyl]benzamide (CID 56753411) is N-[2-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethyl]benzamide.

What is the SMILES notation for N-[2-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethyl]benzamide?

The canonical SMILES for N-[2-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethyl]benzamide is O=C(NCCN1CCc2[nH]nc(-c3ccc(F)c(F)c3)c2C1)c1ccccc1.

What is the InChIKey of N-[2-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethyl]benzamide?

The InChIKey is ZSACSDDESDIDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O/c22-17-7-6-15(12-18(17)23)20-16-13-27(10-8-19(16)25-26-20)11-9-24-21(28)14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,24,28)(H,25,26).

What are the key properties of N-[2-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethyl]benzamide?

N-[2-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethyl]benzamide has a molecular weight of 382.41 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethyl]benzamide is sourced from PubChem (CID 56753411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).