[5-(cyclopropylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-[4-(2-ethyl-3-fluorophenyl)piperidin-1-yl]methanone

C24H31FN4O — CID 170244009

About [5-(cyclopropylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-[4-(2-ethyl-3-fluorophenyl)piperidin-1-yl]methanone

[5-(cyclopropylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-[4-(2-ethyl-3-fluorophenyl)piperidin-1-yl]methanone (PubChem CID 170244009) has the molecular formula C24H31FN4O and a molecular weight of 410.54 g/mol. Its IUPAC name is [5-(cyclopropylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-[4-(2-ethyl-3-fluorophenyl)piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: [5-(cyclopropylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-[4-(2-ethyl-3-fluorophenyl)piperidin-1-yl]methanone
• PubChem CID: 170244009
• Molecular Formula: C24H31FN4O
• Molecular Weight: 410.54 g/mol
• Exact Mass: 410.25
• IUPAC Name: [5-(cyclopropylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-[4-(2-ethyl-3-fluorophenyl)piperidin-1-yl]methanone
• SMILES: CCc1c(F)cccc1C1CCN(C(=O)c2n[nH]c3c2CN(CC2CC2)CC3)CC1
• InChI: InChI=1S/C24H31FN4O/c1-2-18-19(4-3-5-21(18)25)17-8-12-29(13-9-17)24(30)23-20-15-28(14-16-6-7-16)11-10-22(20)26-27-23/h3-5,16-17H,2,6-15H2,1H3,(H,26,27)
• InChIKey: DOCNBQNDFAWJGX-UHFFFAOYSA-N
• XLogP: 3.90
• TPSA: 52.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.54
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of [5-(cyclopropylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-[4-(2-ethyl-3-fluorophenyl)piperidin-1-yl]methanone?

The IUPAC name of [5-(cyclopropylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-[4-(2-ethyl-3-fluorophenyl)piperidin-1-yl]methanone (CID 170244009) is [5-(cyclopropylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-[4-(2-ethyl-3-fluorophenyl)piperidin-1-yl]methanone.

What is the SMILES notation for [5-(cyclopropylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-[4-(2-ethyl-3-fluorophenyl)piperidin-1-yl]methanone?

The canonical SMILES for [5-(cyclopropylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-[4-(2-ethyl-3-fluorophenyl)piperidin-1-yl]methanone is CCc1c(F)cccc1C1CCN(C(=O)c2n[nH]c3c2CN(CC2CC2)CC3)CC1.

What is the InChIKey of [5-(cyclopropylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-[4-(2-ethyl-3-fluorophenyl)piperidin-1-yl]methanone?

The InChIKey is DOCNBQNDFAWJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN4O/c1-2-18-19(4-3-5-21(18)25)17-8-12-29(13-9-17)24(30)23-20-15-28(14-16-6-7-16)11-10-22(20)26-27-23/h3-5,16-17H,2,6-15H2,1H3,(H,26,27).

What are the key properties of [5-(cyclopropylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-[4-(2-ethyl-3-fluorophenyl)piperidin-1-yl]methanone?

[5-(cyclopropylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-[4-(2-ethyl-3-fluorophenyl)piperidin-1-yl]methanone has a molecular weight of 410.54 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [5-(cyclopropylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-[4-(2-ethyl-3-fluorophenyl)piperidin-1-yl]methanone is sourced from PubChem (CID 170244009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).