(5R)-9-[7-(5,6-dimethyl-1H-indazol-4-yl)-6,8-difluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]quinazolin-4-yl]-1,3,9-triazaspiro[4.5]decane-2,4-dione

C32H33F3N8O3 — CID 169126402

About (5R)-9-[7-(5,6-dimethyl-1H-indazol-4-yl)-6,8-difluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]quinazolin-4-yl]-1,3,9-triazaspiro[4.5]decane-2,4-dione

(5R)-9-[7-(5,6-dimethyl-1H-indazol-4-yl)-6,8-difluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]quinazolin-4-yl]-1,3,9-triazaspiro[4.5]decane-2,4-dione (PubChem CID 169126402) has the molecular formula C32H33F3N8O3 and a molecular weight of 634.66 g/mol. Its IUPAC name is (5R)-9-[7-(5,6-dimethyl-1H-indazol-4-yl)-6,8-difluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]quinazolin-4-yl]-1,3,9-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

• Compound Name: (5R)-9-[7-(5,6-dimethyl-1H-indazol-4-yl)-6,8-difluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]quinazolin-4-yl]-1,3,9-triazaspiro[4.5]decane-2,4-dione
• PubChem CID: 169126402
• Molecular Formula: C32H33F3N8O3
• Molecular Weight: 634.66 g/mol
• Exact Mass: 634.26
• IUPAC Name: (5R)-9-[7-(5,6-dimethyl-1H-indazol-4-yl)-6,8-difluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]quinazolin-4-yl]-1,3,9-triazaspiro[4.5]decane-2,4-dione
• SMILES: Cc1cc2[nH]ncc2c(-c2c(F)cc3c(N4CCC[C@]5(C4)NC(=O)NC5=O)nc(OC[C@@]45CCCN4C[C@H](F)C5)nc3c2F)c1C
• InChI: InChI=1S/C32H33F3N8O3/c1-16-9-22-20(12-36-41-22)23(17(16)2)24-21(34)10-19-26(25(24)35)37-30(46-15-31-5-3-8-43(31)13-18(33)11-31)38-27(19)42-7-4-6-32(14-42)28(44)39-29(45)40-32/h9-10,12,18H,3-8,11,13-15H2,1-2H3,(H,36,41)(H2,39,40,44,45)/t18-,31+,32-/m1/s1
• InChIKey: MWEFOCOKMRKYBZ-CFAGKXSVSA-N
• XLogP: 4.20
• TPSA: 128.37 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	634.66
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5R)-9-[7-(5,6-dimethyl-1H-indazol-4-yl)-6,8-difluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]quinazolin-4-yl]-1,3,9-triazaspiro[4.5]decane-2,4-dione?

The IUPAC name of (5R)-9-[7-(5,6-dimethyl-1H-indazol-4-yl)-6,8-difluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]quinazolin-4-yl]-1,3,9-triazaspiro[4.5]decane-2,4-dione (CID 169126402) is (5R)-9-[7-(5,6-dimethyl-1H-indazol-4-yl)-6,8-difluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]quinazolin-4-yl]-1,3,9-triazaspiro[4.5]decane-2,4-dione.

What is the SMILES notation for (5R)-9-[7-(5,6-dimethyl-1H-indazol-4-yl)-6,8-difluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]quinazolin-4-yl]-1,3,9-triazaspiro[4.5]decane-2,4-dione?

The canonical SMILES for (5R)-9-[7-(5,6-dimethyl-1H-indazol-4-yl)-6,8-difluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]quinazolin-4-yl]-1,3,9-triazaspiro[4.5]decane-2,4-dione is Cc1cc2[nH]ncc2c(-c2c(F)cc3c(N4CCC[C@]5(C4)NC(=O)NC5=O)nc(OC[C@@]45CCCN4C[C@H](F)C5)nc3c2F)c1C.

What is the InChIKey of (5R)-9-[7-(5,6-dimethyl-1H-indazol-4-yl)-6,8-difluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]quinazolin-4-yl]-1,3,9-triazaspiro[4.5]decane-2,4-dione?

The InChIKey is MWEFOCOKMRKYBZ-CFAGKXSVSA-N. The full InChI is InChI=1S/C32H33F3N8O3/c1-16-9-22-20(12-36-41-22)23(17(16)2)24-21(34)10-19-26(25(24)35)37-30(46-15-31-5-3-8-43(31)13-18(33)11-31)38-27(19)42-7-4-6-32(14-42)28(44)39-29(45)40-32/h9-10,12,18H,3-8,11,13-15H2,1-2H3,(H,36,41)(H2,39,40,44,45)/t18-,31+,32-/m1/s1.

What are the key properties of (5R)-9-[7-(5,6-dimethyl-1H-indazol-4-yl)-6,8-difluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]quinazolin-4-yl]-1,3,9-triazaspiro[4.5]decane-2,4-dione?

(5R)-9-[7-(5,6-dimethyl-1H-indazol-4-yl)-6,8-difluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]quinazolin-4-yl]-1,3,9-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 634.66 g/mol, XLogP of 4.20, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-9-[7-(5,6-dimethyl-1H-indazol-4-yl)-6,8-difluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]quinazolin-4-yl]-1,3,9-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 169126402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).