(7R)-2'-amino-4-[(4R)-4-cyanoazepan-1-yl]-2-[[(2R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]spiro[5,8-dihydropyrano[4,3-d]pyrimidine-7,8'-6,7-dihydro-5H-naphthalene]-1'-carbonitrile

C32H38FN7O2 — CID 171640473

About (7R)-2'-amino-4-[(4R)-4-cyanoazepan-1-yl]-2-[[(2R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]spiro[5,8-dihydropyrano[4,3-d]pyrimidine-7,8'-6,7-dihydro-5H-naphthalene]-1'-carbonitrile

(7R)-2'-amino-4-[(4R)-4-cyanoazepan-1-yl]-2-[[(2R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]spiro[5,8-dihydropyrano[4,3-d]pyrimidine-7,8'-6,7-dihydro-5H-naphthalene]-1'-carbonitrile (PubChem CID 171640473) has the molecular formula C32H38FN7O2 and a molecular weight of 571.70 g/mol. Its IUPAC name is (7R)-2'-amino-4-[(4R)-4-cyanoazepan-1-yl]-2-[[(2R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]spiro[5,8-dihydropyrano[4,3-d]pyrimidine-7,8'-6,7-dihydro-5H-naphthalene]-1'-carbonitrile.

Molecular Properties

• Compound Name: (7R)-2'-amino-4-[(4R)-4-cyanoazepan-1-yl]-2-[[(2R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]spiro[5,8-dihydropyrano[4,3-d]pyrimidine-7,8'-6,7-dihydro-5H-naphthalene]-1'-carbonitrile
• PubChem CID: 171640473
• Molecular Formula: C32H38FN7O2
• Molecular Weight: 571.70 g/mol
• Exact Mass: 571.31
• IUPAC Name: (7R)-2'-amino-4-[(4R)-4-cyanoazepan-1-yl]-2-[[(2R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]spiro[5,8-dihydropyrano[4,3-d]pyrimidine-7,8'-6,7-dihydro-5H-naphthalene]-1'-carbonitrile
• SMILES: N#Cc1c(N)ccc2c1[C@@]1(CCC2)Cc2nc(OCC34CCCN3C[C@H](F)C4)nc(N3CCC[C@@H](C#N)CC3)c2CO1
• InChI: InChI=1S/C32H38FN7O2/c33-23-14-31(9-3-12-40(31)18-23)20-41-30-37-27-15-32(10-1-5-22-6-7-26(36)24(17-35)28(22)32)42-19-25(27)29(38-30)39-11-2-4-21(16-34)8-13-39/h6-7,21,23H,1-5,8-15,18-20,36H2/t21-,23-,31?,32-/m1/s1
• InChIKey: KPMRVNZSOGEJSQ-IPHWNBFBSA-N
• XLogP: 4.32
• TPSA: 124.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	571.70
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (7R)-2'-amino-4-[(4R)-4-cyanoazepan-1-yl]-2-[[(2R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]spiro[5,8-dihydropyrano[4,3-d]pyrimidine-7,8'-6,7-dihydro-5H-naphthalene]-1'-carbonitrile?

The IUPAC name of (7R)-2'-amino-4-[(4R)-4-cyanoazepan-1-yl]-2-[[(2R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]spiro[5,8-dihydropyrano[4,3-d]pyrimidine-7,8'-6,7-dihydro-5H-naphthalene]-1'-carbonitrile (CID 171640473) is (7R)-2'-amino-4-[(4R)-4-cyanoazepan-1-yl]-2-[[(2R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]spiro[5,8-dihydropyrano[4,3-d]pyrimidine-7,8'-6,7-dihydro-5H-naphthalene]-1'-carbonitrile.

What is the SMILES notation for (7R)-2'-amino-4-[(4R)-4-cyanoazepan-1-yl]-2-[[(2R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]spiro[5,8-dihydropyrano[4,3-d]pyrimidine-7,8'-6,7-dihydro-5H-naphthalene]-1'-carbonitrile?

The canonical SMILES for (7R)-2'-amino-4-[(4R)-4-cyanoazepan-1-yl]-2-[[(2R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]spiro[5,8-dihydropyrano[4,3-d]pyrimidine-7,8'-6,7-dihydro-5H-naphthalene]-1'-carbonitrile is N#Cc1c(N)ccc2c1[C@@]1(CCC2)Cc2nc(OCC34CCCN3C[C@H](F)C4)nc(N3CCC[C@@H](C#N)CC3)c2CO1.

What is the InChIKey of (7R)-2'-amino-4-[(4R)-4-cyanoazepan-1-yl]-2-[[(2R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]spiro[5,8-dihydropyrano[4,3-d]pyrimidine-7,8'-6,7-dihydro-5H-naphthalene]-1'-carbonitrile?

The InChIKey is KPMRVNZSOGEJSQ-IPHWNBFBSA-N. The full InChI is InChI=1S/C32H38FN7O2/c33-23-14-31(9-3-12-40(31)18-23)20-41-30-37-27-15-32(10-1-5-22-6-7-26(36)24(17-35)28(22)32)42-19-25(27)29(38-30)39-11-2-4-21(16-34)8-13-39/h6-7,21,23H,1-5,8-15,18-20,36H2/t21-,23-,31?,32-/m1/s1.

What are the key properties of (7R)-2'-amino-4-[(4R)-4-cyanoazepan-1-yl]-2-[[(2R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]spiro[5,8-dihydropyrano[4,3-d]pyrimidine-7,8'-6,7-dihydro-5H-naphthalene]-1'-carbonitrile?

(7R)-2'-amino-4-[(4R)-4-cyanoazepan-1-yl]-2-[[(2R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]spiro[5,8-dihydropyrano[4,3-d]pyrimidine-7,8'-6,7-dihydro-5H-naphthalene]-1'-carbonitrile has a molecular weight of 571.70 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (7R)-2'-amino-4-[(4R)-4-cyanoazepan-1-yl]-2-[[(2R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]spiro[5,8-dihydropyrano[4,3-d]pyrimidine-7,8'-6,7-dihydro-5H-naphthalene]-1'-carbonitrile is sourced from PubChem (CID 171640473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).