1-[1-(cyclopropylmethyl)-3-[4-(3-fluorophenyl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C24H25FN4O — CID 121373008

About 1-[1-(cyclopropylmethyl)-3-[4-(3-fluorophenyl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

1-[1-(cyclopropylmethyl)-3-[4-(3-fluorophenyl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 121373008) has the molecular formula C24H25FN4O and a molecular weight of 404.49 g/mol. Its IUPAC name is 1-[1-(cyclopropylmethyl)-3-[4-(3-fluorophenyl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

• Compound Name: 1-[1-(cyclopropylmethyl)-3-[4-(3-fluorophenyl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
• PubChem CID: 121373008
• Molecular Formula: C24H25FN4O
• Molecular Weight: 404.49 g/mol
• Exact Mass: 404.20
• IUPAC Name: 1-[1-(cyclopropylmethyl)-3-[4-(3-fluorophenyl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
• SMILES: CC(=O)N1CCc2c(c(Nc3ccc(-c4cccc(F)c4)cc3)nn2CC2CC2)C1
• InChI: InChI=1S/C24H25FN4O/c1-16(30)28-12-11-23-22(15-28)24(27-29(23)14-17-5-6-17)26-21-9-7-18(8-10-21)19-3-2-4-20(25)13-19/h2-4,7-10,13,17H,5-6,11-12,14-15H2,1H3,(H,26,27)
• InChIKey: MAYGDUIRPQVXTQ-UHFFFAOYSA-N
• XLogP: 4.75
• TPSA: 50.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.49
LogP ≤ 5	4.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 1-[1-(cyclopropylmethyl)-3-[4-(3-fluorophenyl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 121373008) is 1-[1-(cyclopropylmethyl)-3-[4-(3-fluorophenyl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

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

The canonical SMILES for 1-[1-(cyclopropylmethyl)-3-[4-(3-fluorophenyl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(Nc3ccc(-c4cccc(F)c4)cc3)nn2CC2CC2)C1.

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

The InChIKey is MAYGDUIRPQVXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O/c1-16(30)28-12-11-23-22(15-28)24(27-29(23)14-17-5-6-17)26-21-9-7-18(8-10-21)19-3-2-4-20(25)13-19/h2-4,7-10,13,17H,5-6,11-12,14-15H2,1H3,(H,26,27).

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

1-[1-(cyclopropylmethyl)-3-[4-(3-fluorophenyl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 404.49 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(cyclopropylmethyl)-3-[4-(3-fluorophenyl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 121373008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).