[3-(4-azaspiro[2.5]octane-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(1H-indol-2-yl)methanone

C23H25N5O2 — CID 142576821

About [3-(4-azaspiro[2.5]octane-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(1H-indol-2-yl)methanone

[3-(4-azaspiro[2.5]octane-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(1H-indol-2-yl)methanone (PubChem CID 142576821) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is [3-(4-azaspiro[2.5]octane-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(1H-indol-2-yl)methanone.

Molecular Properties

• Compound Name: [3-(4-azaspiro[2.5]octane-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(1H-indol-2-yl)methanone
• PubChem CID: 142576821
• Molecular Formula: C23H25N5O2
• Molecular Weight: 403.49 g/mol
• Exact Mass: 403.20
• IUPAC Name: [3-(4-azaspiro[2.5]octane-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(1H-indol-2-yl)methanone
• SMILES: O=C(c1cc2ccccc2[nH]1)N1CCc2[nH]nc(C(=O)N3CCCCC34CC4)c2C1
• InChI: InChI=1S/C23H25N5O2/c29-21(19-13-15-5-1-2-6-17(15)24-19)27-12-7-18-16(14-27)20(26-25-18)22(30)28-11-4-3-8-23(28)9-10-23/h1-2,5-6,13,24H,3-4,7-12,14H2,(H,25,26)
• InChIKey: BMNFMTOYDFNEHD-UHFFFAOYSA-N
• XLogP: 3.25
• TPSA: 85.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.49
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of [3-(4-azaspiro[2.5]octane-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(1H-indol-2-yl)methanone?

The IUPAC name of [3-(4-azaspiro[2.5]octane-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(1H-indol-2-yl)methanone (CID 142576821) is [3-(4-azaspiro[2.5]octane-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(1H-indol-2-yl)methanone.

What is the SMILES notation for [3-(4-azaspiro[2.5]octane-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(1H-indol-2-yl)methanone?

The canonical SMILES for [3-(4-azaspiro[2.5]octane-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(1H-indol-2-yl)methanone is O=C(c1cc2ccccc2[nH]1)N1CCc2[nH]nc(C(=O)N3CCCCC34CC4)c2C1.

What is the InChIKey of [3-(4-azaspiro[2.5]octane-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(1H-indol-2-yl)methanone?

The InChIKey is BMNFMTOYDFNEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c29-21(19-13-15-5-1-2-6-17(15)24-19)27-12-7-18-16(14-27)20(26-25-18)22(30)28-11-4-3-8-23(28)9-10-23/h1-2,5-6,13,24H,3-4,7-12,14H2,(H,25,26).

What are the key properties of [3-(4-azaspiro[2.5]octane-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(1H-indol-2-yl)methanone?

[3-(4-azaspiro[2.5]octane-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(1H-indol-2-yl)methanone has a molecular weight of 403.49 g/mol, XLogP of 3.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(4-azaspiro[2.5]octane-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(1H-indol-2-yl)methanone is sourced from PubChem (CID 142576821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).