6-[(Z)-1-amino-2-[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]ethenyl]-1H-pyridin-2-one;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine

C37H49FN8O2 — CID 176703843

About 6-[(Z)-1-amino-2-[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]ethenyl]-1H-pyridin-2-one;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine

6-[(Z)-1-amino-2-[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]ethenyl]-1H-pyridin-2-one;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine (PubChem CID 176703843) has the molecular formula C37H49FN8O2 and a molecular weight of 656.85 g/mol. Its IUPAC name is 6-[(Z)-1-amino-2-[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]ethenyl]-1H-pyridin-2-one;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine.

Molecular Properties

• Compound Name: 6-[(Z)-1-amino-2-[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]ethenyl]-1H-pyridin-2-one;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
• PubChem CID: 176703843
• Molecular Formula: C37H49FN8O2
• Molecular Weight: 656.85 g/mol
• Exact Mass: 656.40
• IUPAC Name: 6-[(Z)-1-amino-2-[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]ethenyl]-1H-pyridin-2-one;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
• SMILES: CCCc1ccccc1C1Cc2nc(OC)nc(N3CCCN=C(/C=C(\N)c4cccc(=O)[nH]4)C3)c2CN1C.FC1CC2CCCN2C1
• InChI: InChI=1S/C30H37N7O2.C7H12FN/c1-4-9-20-10-5-6-11-22(20)27-17-26-23(19-36(27)2)29(35-30(34-26)39-3)37-15-8-14-32-21(18-37)16-24(31)25-12-7-13-28(38)33-25;8-6-4-7-2-1-3-9(7)5-6/h5-7,10-13,16,27H,4,8-9,14-15,17-19,31H2,1-3H3,(H,33,38);6-7H,1-5H2/b24-16-
• InChIKey: JISOCASRUMZJLZ-PNNXLEGYSA-N
• XLogP: 4.70
• TPSA: 115.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	656.85
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-[(Z)-1-amino-2-[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]ethenyl]-1H-pyridin-2-one;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?

The IUPAC name of 6-[(Z)-1-amino-2-[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]ethenyl]-1H-pyridin-2-one;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine (CID 176703843) is 6-[(Z)-1-amino-2-[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]ethenyl]-1H-pyridin-2-one;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine.

What is the SMILES notation for 6-[(Z)-1-amino-2-[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]ethenyl]-1H-pyridin-2-one;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?

The canonical SMILES for 6-[(Z)-1-amino-2-[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]ethenyl]-1H-pyridin-2-one;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine is CCCc1ccccc1C1Cc2nc(OC)nc(N3CCCN=C(/C=C(\N)c4cccc(=O)[nH]4)C3)c2CN1C.FC1CC2CCCN2C1.

What is the InChIKey of 6-[(Z)-1-amino-2-[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]ethenyl]-1H-pyridin-2-one;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?

The InChIKey is JISOCASRUMZJLZ-PNNXLEGYSA-N. The full InChI is InChI=1S/C30H37N7O2.C7H12FN/c1-4-9-20-10-5-6-11-22(20)27-17-26-23(19-36(27)2)29(35-30(34-26)39-3)37-15-8-14-32-21(18-37)16-24(31)25-12-7-13-28(38)33-25;8-6-4-7-2-1-3-9(7)5-6/h5-7,10-13,16,27H,4,8-9,14-15,17-19,31H2,1-3H3,(H,33,38);6-7H,1-5H2/b24-16-;.

What are the key properties of 6-[(Z)-1-amino-2-[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]ethenyl]-1H-pyridin-2-one;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?

6-[(Z)-1-amino-2-[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]ethenyl]-1H-pyridin-2-one;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine has a molecular weight of 656.85 g/mol, XLogP of 4.70, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(Z)-1-amino-2-[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]ethenyl]-1H-pyridin-2-one;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine is sourced from PubChem (CID 176703843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).