(Z)-2-amino-3-[1-(5-hydroxy-2'-methoxyspiro[1,2-dihydroindene-3,7'-5,8-dihydropyrano[4,3-d]pyrimidine]-4'-yl)-2,5,6,7-tetrahydro-1,4-diazepin-3-yl]-N-methylprop-2-enamide;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine

C32H42FN7O4 — CID 176703932

About (Z)-2-amino-3-[1-(5-hydroxy-2'-methoxyspiro[1,2-dihydroindene-3,7'-5,8-dihydropyrano[4,3-d]pyrimidine]-4'-yl)-2,5,6,7-tetrahydro-1,4-diazepin-3-yl]-N-methylprop-2-enamide;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine

(Z)-2-amino-3-[1-(5-hydroxy-2'-methoxyspiro[1,2-dihydroindene-3,7'-5,8-dihydropyrano[4,3-d]pyrimidine]-4'-yl)-2,5,6,7-tetrahydro-1,4-diazepin-3-yl]-N-methylprop-2-enamide;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine (PubChem CID 176703932) has the molecular formula C32H42FN7O4 and a molecular weight of 607.73 g/mol. Its IUPAC name is (Z)-2-amino-3-[1-(5-hydroxy-2'-methoxyspiro[1,2-dihydroindene-3,7'-5,8-dihydropyrano[4,3-d]pyrimidine]-4'-yl)-2,5,6,7-tetrahydro-1,4-diazepin-3-yl]-N-methylprop-2-enamide;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine.

Molecular Properties

• Compound Name: (Z)-2-amino-3-[1-(5-hydroxy-2'-methoxyspiro[1,2-dihydroindene-3,7'-5,8-dihydropyrano[4,3-d]pyrimidine]-4'-yl)-2,5,6,7-tetrahydro-1,4-diazepin-3-yl]-N-methylprop-2-enamide;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
• PubChem CID: 176703932
• Molecular Formula: C32H42FN7O4
• Molecular Weight: 607.73 g/mol
• Exact Mass: 607.33
• IUPAC Name: (Z)-2-amino-3-[1-(5-hydroxy-2'-methoxyspiro[1,2-dihydroindene-3,7'-5,8-dihydropyrano[4,3-d]pyrimidine]-4'-yl)-2,5,6,7-tetrahydro-1,4-diazepin-3-yl]-N-methylprop-2-enamide;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
• SMILES: CNC(=O)/C(N)=C/C1=NCCCN(c2nc(OC)nc3c2COC2(CCc4ccc(O)cc42)C3)C1.FC1CC2CCCN2C1
• InChI: InChI=1S/C25H30N6O4.C7H12FN/c1-27-23(33)20(26)10-16-13-31(9-3-8-28-16)22-18-14-35-25(12-21(18)29-24(30-22)34-2)7-6-15-4-5-17(32)11-19(15)25;8-6-4-7-2-1-3-9(7)5-6/h4-5,10-11,32H,3,6-9,12-14,26H2,1-2H3,(H,27,33);6-7H,1-5H2/b20-10-
• InChIKey: LTFNYVJCJZZXPS-NVMQZCJTSA-N
• XLogP: 2.54
• TPSA: 138.43 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	607.73
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (Z)-2-amino-3-[1-(5-hydroxy-2'-methoxyspiro[1,2-dihydroindene-3,7'-5,8-dihydropyrano[4,3-d]pyrimidine]-4'-yl)-2,5,6,7-tetrahydro-1,4-diazepin-3-yl]-N-methylprop-2-enamide;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?

The IUPAC name of (Z)-2-amino-3-[1-(5-hydroxy-2'-methoxyspiro[1,2-dihydroindene-3,7'-5,8-dihydropyrano[4,3-d]pyrimidine]-4'-yl)-2,5,6,7-tetrahydro-1,4-diazepin-3-yl]-N-methylprop-2-enamide;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine (CID 176703932) is (Z)-2-amino-3-[1-(5-hydroxy-2'-methoxyspiro[1,2-dihydroindene-3,7'-5,8-dihydropyrano[4,3-d]pyrimidine]-4'-yl)-2,5,6,7-tetrahydro-1,4-diazepin-3-yl]-N-methylprop-2-enamide;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine.

What is the SMILES notation for (Z)-2-amino-3-[1-(5-hydroxy-2'-methoxyspiro[1,2-dihydroindene-3,7'-5,8-dihydropyrano[4,3-d]pyrimidine]-4'-yl)-2,5,6,7-tetrahydro-1,4-diazepin-3-yl]-N-methylprop-2-enamide;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?

The canonical SMILES for (Z)-2-amino-3-[1-(5-hydroxy-2'-methoxyspiro[1,2-dihydroindene-3,7'-5,8-dihydropyrano[4,3-d]pyrimidine]-4'-yl)-2,5,6,7-tetrahydro-1,4-diazepin-3-yl]-N-methylprop-2-enamide;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine is CNC(=O)/C(N)=C/C1=NCCCN(c2nc(OC)nc3c2COC2(CCc4ccc(O)cc42)C3)C1.FC1CC2CCCN2C1.

What is the InChIKey of (Z)-2-amino-3-[1-(5-hydroxy-2'-methoxyspiro[1,2-dihydroindene-3,7'-5,8-dihydropyrano[4,3-d]pyrimidine]-4'-yl)-2,5,6,7-tetrahydro-1,4-diazepin-3-yl]-N-methylprop-2-enamide;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?

The InChIKey is LTFNYVJCJZZXPS-NVMQZCJTSA-N. The full InChI is InChI=1S/C25H30N6O4.C7H12FN/c1-27-23(33)20(26)10-16-13-31(9-3-8-28-16)22-18-14-35-25(12-21(18)29-24(30-22)34-2)7-6-15-4-5-17(32)11-19(15)25;8-6-4-7-2-1-3-9(7)5-6/h4-5,10-11,32H,3,6-9,12-14,26H2,1-2H3,(H,27,33);6-7H,1-5H2/b20-10-;.

What are the key properties of (Z)-2-amino-3-[1-(5-hydroxy-2'-methoxyspiro[1,2-dihydroindene-3,7'-5,8-dihydropyrano[4,3-d]pyrimidine]-4'-yl)-2,5,6,7-tetrahydro-1,4-diazepin-3-yl]-N-methylprop-2-enamide;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?

(Z)-2-amino-3-[1-(5-hydroxy-2'-methoxyspiro[1,2-dihydroindene-3,7'-5,8-dihydropyrano[4,3-d]pyrimidine]-4'-yl)-2,5,6,7-tetrahydro-1,4-diazepin-3-yl]-N-methylprop-2-enamide;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine has a molecular weight of 607.73 g/mol, XLogP of 2.54, 4 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-2-amino-3-[1-(5-hydroxy-2'-methoxyspiro[1,2-dihydroindene-3,7'-5,8-dihydropyrano[4,3-d]pyrimidine]-4'-yl)-2,5,6,7-tetrahydro-1,4-diazepin-3-yl]-N-methylprop-2-enamide;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine is sourced from PubChem (CID 176703932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).