N-[[2-(3-amino-5-fluorobenzoyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide

C24H30FN5O3 — CID 167830635

About N-[[2-(3-amino-5-fluorobenzoyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide

N-[[2-(3-amino-5-fluorobenzoyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide (PubChem CID 167830635) has the molecular formula C24H30FN5O3 and a molecular weight of 455.53 g/mol. Its IUPAC name is N-[[2-(3-amino-5-fluorobenzoyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[[2-(3-amino-5-fluorobenzoyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
• PubChem CID: 167830635
• Molecular Formula: C24H30FN5O3
• Molecular Weight: 455.53 g/mol
• Exact Mass: 455.23
• IUPAC Name: N-[[2-(3-amino-5-fluorobenzoyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
• SMILES: Nc1cc(F)cc(C(=O)N2CC3(CCOCC3)CC2CNC(=O)C2CCCc3[nH]ncc32)c1
• InChI: InChI=1S/C24H30FN5O3/c25-16-8-15(9-17(26)10-16)23(32)30-14-24(4-6-33-7-5-24)11-18(30)12-27-22(31)19-2-1-3-21-20(19)13-28-29-21/h8-10,13,18-19H,1-7,11-12,14,26H2,(H,27,31)(H,28,29)
• InChIKey: RQKGZJWTBKJQPS-UHFFFAOYSA-N
• XLogP: 2.38
• TPSA: 113.34 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.53
LogP ≤ 5	2.38
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-amino-5-fluorobenzoyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide?

The IUPAC name of N-[[2-(3-amino-5-fluorobenzoyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide (CID 167830635) is N-[[2-(3-amino-5-fluorobenzoyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide.

What is the SMILES notation for N-[[2-(3-amino-5-fluorobenzoyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide?

The canonical SMILES for N-[[2-(3-amino-5-fluorobenzoyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide is Nc1cc(F)cc(C(=O)N2CC3(CCOCC3)CC2CNC(=O)C2CCCc3[nH]ncc32)c1.

What is the InChIKey of N-[[2-(3-amino-5-fluorobenzoyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide?

The InChIKey is RQKGZJWTBKJQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN5O3/c25-16-8-15(9-17(26)10-16)23(32)30-14-24(4-6-33-7-5-24)11-18(30)12-27-22(31)19-2-1-3-21-20(19)13-28-29-21/h8-10,13,18-19H,1-7,11-12,14,26H2,(H,27,31)(H,28,29).

What are the key properties of N-[[2-(3-amino-5-fluorobenzoyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide?

N-[[2-(3-amino-5-fluorobenzoyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide has a molecular weight of 455.53 g/mol, XLogP of 2.38, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[2-(3-amino-5-fluorobenzoyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide is sourced from PubChem (CID 167830635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).