2-amino-4-[5-fluoro-3-methoxy-1-[3-(3-methoxypropyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-7,9-dihydrofuro[3,4-f]quinazolin-6-yl]thieno[3,2-c]pyridine-3-carbonitrile;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine

C36H42F2N8O3S — CID 169202033

About 2-amino-4-[5-fluoro-3-methoxy-1-[3-(3-methoxypropyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-7,9-dihydrofuro[3,4-f]quinazolin-6-yl]thieno[3,2-c]pyridine-3-carbonitrile;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine

2-amino-4-[5-fluoro-3-methoxy-1-[3-(3-methoxypropyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-7,9-dihydrofuro[3,4-f]quinazolin-6-yl]thieno[3,2-c]pyridine-3-carbonitrile;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine (PubChem CID 169202033) has the molecular formula C36H42F2N8O3S and a molecular weight of 704.85 g/mol. Its IUPAC name is 2-amino-4-[5-fluoro-3-methoxy-1-[3-(3-methoxypropyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-7,9-dihydrofuro[3,4-f]quinazolin-6-yl]thieno[3,2-c]pyridine-3-carbonitrile;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine.

Molecular Properties

• Compound Name: 2-amino-4-[5-fluoro-3-methoxy-1-[3-(3-methoxypropyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-7,9-dihydrofuro[3,4-f]quinazolin-6-yl]thieno[3,2-c]pyridine-3-carbonitrile;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
• PubChem CID: 169202033
• Molecular Formula: C36H42F2N8O3S
• Molecular Weight: 704.85 g/mol
• Exact Mass: 704.31
• IUPAC Name: 2-amino-4-[5-fluoro-3-methoxy-1-[3-(3-methoxypropyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-7,9-dihydrofuro[3,4-f]quinazolin-6-yl]thieno[3,2-c]pyridine-3-carbonitrile;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
• SMILES: COCCCN1CC2CCC(C1)N2c1nc(OC)nc2c(F)c(-c3nccc4sc(N)c(C#N)c34)c3c(c12)COC3.FC1CC2CCCN2C1
• InChI: InChI=1S/C29H30FN7O3S.C7H12FN/c1-38-9-3-8-36-11-15-4-5-16(12-36)37(15)28-23-19-14-40-13-18(19)22(24(30)26(23)34-29(35-28)39-2)25-21-17(10-31)27(32)41-20(21)6-7-33-25;8-6-4-7-2-1-3-9(7)5-6/h6-7,15-16H,3-5,8-9,11-14,32H2,1-2H3;6-7H,1-5H2
• InChIKey: YEGDWTFXHIJPII-UHFFFAOYSA-N
• XLogP: 5.42
• TPSA: 125.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 7
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	704.85
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[5-fluoro-3-methoxy-1-[3-(3-methoxypropyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-7,9-dihydrofuro[3,4-f]quinazolin-6-yl]thieno[3,2-c]pyridine-3-carbonitrile;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?

The IUPAC name of 2-amino-4-[5-fluoro-3-methoxy-1-[3-(3-methoxypropyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-7,9-dihydrofuro[3,4-f]quinazolin-6-yl]thieno[3,2-c]pyridine-3-carbonitrile;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine (CID 169202033) is 2-amino-4-[5-fluoro-3-methoxy-1-[3-(3-methoxypropyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-7,9-dihydrofuro[3,4-f]quinazolin-6-yl]thieno[3,2-c]pyridine-3-carbonitrile;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine.

What is the SMILES notation for 2-amino-4-[5-fluoro-3-methoxy-1-[3-(3-methoxypropyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-7,9-dihydrofuro[3,4-f]quinazolin-6-yl]thieno[3,2-c]pyridine-3-carbonitrile;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?

The canonical SMILES for 2-amino-4-[5-fluoro-3-methoxy-1-[3-(3-methoxypropyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-7,9-dihydrofuro[3,4-f]quinazolin-6-yl]thieno[3,2-c]pyridine-3-carbonitrile;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine is COCCCN1CC2CCC(C1)N2c1nc(OC)nc2c(F)c(-c3nccc4sc(N)c(C#N)c34)c3c(c12)COC3.FC1CC2CCCN2C1.

What is the InChIKey of 2-amino-4-[5-fluoro-3-methoxy-1-[3-(3-methoxypropyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-7,9-dihydrofuro[3,4-f]quinazolin-6-yl]thieno[3,2-c]pyridine-3-carbonitrile;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?

The InChIKey is YEGDWTFXHIJPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30FN7O3S.C7H12FN/c1-38-9-3-8-36-11-15-4-5-16(12-36)37(15)28-23-19-14-40-13-18(19)22(24(30)26(23)34-29(35-28)39-2)25-21-17(10-31)27(32)41-20(21)6-7-33-25;8-6-4-7-2-1-3-9(7)5-6/h6-7,15-16H,3-5,8-9,11-14,32H2,1-2H3;6-7H,1-5H2.

What are the key properties of 2-amino-4-[5-fluoro-3-methoxy-1-[3-(3-methoxypropyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-7,9-dihydrofuro[3,4-f]quinazolin-6-yl]thieno[3,2-c]pyridine-3-carbonitrile;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?

2-amino-4-[5-fluoro-3-methoxy-1-[3-(3-methoxypropyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-7,9-dihydrofuro[3,4-f]quinazolin-6-yl]thieno[3,2-c]pyridine-3-carbonitrile;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine has a molecular weight of 704.85 g/mol, XLogP of 5.42, 7 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-4-[5-fluoro-3-methoxy-1-[3-(3-methoxypropyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-7,9-dihydrofuro[3,4-f]quinazolin-6-yl]thieno[3,2-c]pyridine-3-carbonitrile;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine is sourced from PubChem (CID 169202033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).