(Z)-2-amino-3-[1-[2-methoxy-6-methyl-7-(2-propylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-2,5,6,7-tetrahydro-1,4-diazepin-3-yl]-N,N-dimethylpent-2-en-4-ynamide;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine

C37H51FN8O2 — CID 176703953

About (Z)-2-amino-3-[1-[2-methoxy-6-methyl-7-(2-propylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-2,5,6,7-tetrahydro-1,4-diazepin-3-yl]-N,N-dimethylpent-2-en-4-ynamide;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine

(Z)-2-amino-3-[1-[2-methoxy-6-methyl-7-(2-propylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-2,5,6,7-tetrahydro-1,4-diazepin-3-yl]-N,N-dimethylpent-2-en-4-ynamide;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine (PubChem CID 176703953) has the molecular formula C37H51FN8O2 and a molecular weight of 658.87 g/mol. Its IUPAC name is (Z)-2-amino-3-[1-[2-methoxy-6-methyl-7-(2-propylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-2,5,6,7-tetrahydro-1,4-diazepin-3-yl]-N,N-dimethylpent-2-en-4-ynamide;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine.

Molecular Properties

• Compound Name: (Z)-2-amino-3-[1-[2-methoxy-6-methyl-7-(2-propylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-2,5,6,7-tetrahydro-1,4-diazepin-3-yl]-N,N-dimethylpent-2-en-4-ynamide;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
• PubChem CID: 176703953
• Molecular Formula: C37H51FN8O2
• Molecular Weight: 658.87 g/mol
• Exact Mass: 658.41
• IUPAC Name: (Z)-2-amino-3-[1-[2-methoxy-6-methyl-7-(2-propylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-2,5,6,7-tetrahydro-1,4-diazepin-3-yl]-N,N-dimethylpent-2-en-4-ynamide;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
• SMILES: C#C/C(C1=NCCCN(c2nc(OC)nc3c2CN(C)C(c2ccccc2CCC)C3)C1)=C(/N)C(=O)N(C)C.FC1CC2CCCN2C1
• InChI: InChI=1S/C30H39N7O2.C7H12FN/c1-7-12-20-13-9-10-14-22(20)26-17-24-23(18-36(26)5)28(34-30(33-24)39-6)37-16-11-15-32-25(19-37)21(8-2)27(31)29(38)35(3)4;8-6-4-7-2-1-3-9(7)5-6/h2,9-10,13-14,26H,7,11-12,15-19,31H2,1,3-6H3;6-7H,1-5H2/b27-21-
• InChIKey: BMEPLEDOUNDXJW-DJILMAANSA-N
• XLogP: 3.94
• TPSA: 103.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	658.87
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (Z)-2-amino-3-[1-[2-methoxy-6-methyl-7-(2-propylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-2,5,6,7-tetrahydro-1,4-diazepin-3-yl]-N,N-dimethylpent-2-en-4-ynamide;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?

The IUPAC name of (Z)-2-amino-3-[1-[2-methoxy-6-methyl-7-(2-propylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-2,5,6,7-tetrahydro-1,4-diazepin-3-yl]-N,N-dimethylpent-2-en-4-ynamide;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine (CID 176703953) is (Z)-2-amino-3-[1-[2-methoxy-6-methyl-7-(2-propylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-2,5,6,7-tetrahydro-1,4-diazepin-3-yl]-N,N-dimethylpent-2-en-4-ynamide;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine.

What is the SMILES notation for (Z)-2-amino-3-[1-[2-methoxy-6-methyl-7-(2-propylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-2,5,6,7-tetrahydro-1,4-diazepin-3-yl]-N,N-dimethylpent-2-en-4-ynamide;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?

The canonical SMILES for (Z)-2-amino-3-[1-[2-methoxy-6-methyl-7-(2-propylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-2,5,6,7-tetrahydro-1,4-diazepin-3-yl]-N,N-dimethylpent-2-en-4-ynamide;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine is C#C/C(C1=NCCCN(c2nc(OC)nc3c2CN(C)C(c2ccccc2CCC)C3)C1)=C(/N)C(=O)N(C)C.FC1CC2CCCN2C1.

What is the InChIKey of (Z)-2-amino-3-[1-[2-methoxy-6-methyl-7-(2-propylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-2,5,6,7-tetrahydro-1,4-diazepin-3-yl]-N,N-dimethylpent-2-en-4-ynamide;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?

The InChIKey is BMEPLEDOUNDXJW-DJILMAANSA-N. The full InChI is InChI=1S/C30H39N7O2.C7H12FN/c1-7-12-20-13-9-10-14-22(20)26-17-24-23(18-36(26)5)28(34-30(33-24)39-6)37-16-11-15-32-25(19-37)21(8-2)27(31)29(38)35(3)4;8-6-4-7-2-1-3-9(7)5-6/h2,9-10,13-14,26H,7,11-12,15-19,31H2,1,3-6H3;6-7H,1-5H2/b27-21-;.

What are the key properties of (Z)-2-amino-3-[1-[2-methoxy-6-methyl-7-(2-propylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-2,5,6,7-tetrahydro-1,4-diazepin-3-yl]-N,N-dimethylpent-2-en-4-ynamide;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?

(Z)-2-amino-3-[1-[2-methoxy-6-methyl-7-(2-propylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-2,5,6,7-tetrahydro-1,4-diazepin-3-yl]-N,N-dimethylpent-2-en-4-ynamide;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine has a molecular weight of 658.87 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-2-amino-3-[1-[2-methoxy-6-methyl-7-(2-propylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-2,5,6,7-tetrahydro-1,4-diazepin-3-yl]-N,N-dimethylpent-2-en-4-ynamide;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine is sourced from PubChem (CID 176703953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).