(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(4-ethyl-1H-indol-2-yl)methanone

C21H24N4O — CID 142576923

About (3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(4-ethyl-1H-indol-2-yl)methanone

(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(4-ethyl-1H-indol-2-yl)methanone (PubChem CID 142576923) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is (3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(4-ethyl-1H-indol-2-yl)methanone.

Molecular Properties

• Compound Name: (3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(4-ethyl-1H-indol-2-yl)methanone
• PubChem CID: 142576923
• Molecular Formula: C21H24N4O
• Molecular Weight: 348.45 g/mol
• Exact Mass: 348.20
• IUPAC Name: (3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(4-ethyl-1H-indol-2-yl)methanone
• SMILES: CCc1cccc2[nH]c(C(=O)N3CCc4[nH]nc(C5CCC5)c4C3)cc12
• InChI: InChI=1S/C21H24N4O/c1-2-13-5-4-8-17-15(13)11-19(22-17)21(26)25-10-9-18-16(12-25)20(24-23-18)14-6-3-7-14/h4-5,8,11,14,22H,2-3,6-7,9-10,12H2,1H3,(H,23,24)
• InChIKey: LNGMDJDPNQAUAP-UHFFFAOYSA-N
• XLogP: 3.92
• TPSA: 64.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	348.45
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of (3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(4-ethyl-1H-indol-2-yl)methanone (CID 142576923) is (3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(4-ethyl-1H-indol-2-yl)methanone.

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

The canonical SMILES for (3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(4-ethyl-1H-indol-2-yl)methanone is CCc1cccc2[nH]c(C(=O)N3CCc4[nH]nc(C5CCC5)c4C3)cc12.

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

The InChIKey is LNGMDJDPNQAUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-2-13-5-4-8-17-15(13)11-19(22-17)21(26)25-10-9-18-16(12-25)20(24-23-18)14-6-3-7-14/h4-5,8,11,14,22H,2-3,6-7,9-10,12H2,1H3,(H,23,24).

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

(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(4-ethyl-1H-indol-2-yl)methanone has a molecular weight of 348.45 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(4-ethyl-1H-indol-2-yl)methanone is sourced from PubChem (CID 142576923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).