1-[1-(3-fluorophenyl)-5-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-N-methylmethanamine

C21H22F2N4 — CID 42871509

About 1-[1-(3-fluorophenyl)-5-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-N-methylmethanamine

1-[1-(3-fluorophenyl)-5-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-N-methylmethanamine (PubChem CID 42871509) has the molecular formula C21H22F2N4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 1-[1-(3-fluorophenyl)-5-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-N-methylmethanamine.

Molecular Properties

• Compound Name: 1-[1-(3-fluorophenyl)-5-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-N-methylmethanamine
• PubChem CID: 42871509
• Molecular Formula: C21H22F2N4
• Molecular Weight: 368.43 g/mol
• Exact Mass: 368.18
• IUPAC Name: 1-[1-(3-fluorophenyl)-5-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-N-methylmethanamine
• SMILES: CNCc1nn(-c2cccc(F)c2)c2c1CN(Cc1ccc(F)cc1)CC2
• InChI: InChI=1S/C21H22F2N4/c1-24-12-20-19-14-26(13-15-5-7-16(22)8-6-15)10-9-21(19)27(25-20)18-4-2-3-17(23)11-18/h2-8,11,24H,9-10,12-14H2,1H3
• InChIKey: TVFADJOKRVMWLD-UHFFFAOYSA-N
• XLogP: 3.43
• TPSA: 33.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.43
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-fluorophenyl)-5-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-N-methylmethanamine?

The IUPAC name of 1-[1-(3-fluorophenyl)-5-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-N-methylmethanamine (CID 42871509) is 1-[1-(3-fluorophenyl)-5-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-N-methylmethanamine.

What is the SMILES notation for 1-[1-(3-fluorophenyl)-5-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-N-methylmethanamine?

The canonical SMILES for 1-[1-(3-fluorophenyl)-5-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-N-methylmethanamine is CNCc1nn(-c2cccc(F)c2)c2c1CN(Cc1ccc(F)cc1)CC2.

What is the InChIKey of 1-[1-(3-fluorophenyl)-5-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-N-methylmethanamine?

The InChIKey is TVFADJOKRVMWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N4/c1-24-12-20-19-14-26(13-15-5-7-16(22)8-6-15)10-9-21(19)27(25-20)18-4-2-3-17(23)11-18/h2-8,11,24H,9-10,12-14H2,1H3.

What are the key properties of 1-[1-(3-fluorophenyl)-5-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-N-methylmethanamine?

1-[1-(3-fluorophenyl)-5-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-N-methylmethanamine has a molecular weight of 368.43 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(3-fluorophenyl)-5-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 42871509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).