7-(3,5-difluorophenyl)-1-[(6-methoxy-2-methyl-3-pyridinyl)amino]-4-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one

C26H22F2N4O2 — CID 139421693

About 7-(3,5-difluorophenyl)-1-[(6-methoxy-2-methyl-3-pyridinyl)amino]-4-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one

7-(3,5-difluorophenyl)-1-[(6-methoxy-2-methyl-3-pyridinyl)amino]-4-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one (PubChem CID 139421693) has the molecular formula C26H22F2N4O2 and a molecular weight of 460.48 g/mol. Its IUPAC name is 7-(3,5-difluorophenyl)-1-[(6-methoxy-2-methyl-3-pyridinyl)amino]-4-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one.

Molecular Properties

• Compound Name: 7-(3,5-difluorophenyl)-1-[(6-methoxy-2-methyl-3-pyridinyl)amino]-4-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one
• PubChem CID: 139421693
• Molecular Formula: C26H22F2N4O2
• Molecular Weight: 460.48 g/mol
• Exact Mass: 460.17
• IUPAC Name: 7-(3,5-difluorophenyl)-1-[(6-methoxy-2-methyl-3-pyridinyl)amino]-4-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one
• SMILES: COc1ccc(Nc2nc(=O)c(-c3ccccc3)c3n2C(c2cc(F)cc(F)c2)CC3)c(C)n1
• InChI: InChI=1S/C26H22F2N4O2/c1-15-20(8-11-23(29-15)34-2)30-26-31-25(33)24(16-6-4-3-5-7-16)22-10-9-21(32(22)26)17-12-18(27)14-19(28)13-17/h3-8,11-14,21H,9-10H2,1-2H3,(H,30,31,33)
• InChIKey: DXEVFLMSRASELN-UHFFFAOYSA-N
• XLogP: 5.18
• TPSA: 69.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	460.48
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-(3,5-difluorophenyl)-1-[(6-methoxy-2-methyl-3-pyridinyl)amino]-4-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one?

The IUPAC name of 7-(3,5-difluorophenyl)-1-[(6-methoxy-2-methyl-3-pyridinyl)amino]-4-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one (CID 139421693) is 7-(3,5-difluorophenyl)-1-[(6-methoxy-2-methyl-3-pyridinyl)amino]-4-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one.

What is the SMILES notation for 7-(3,5-difluorophenyl)-1-[(6-methoxy-2-methyl-3-pyridinyl)amino]-4-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one?

The canonical SMILES for 7-(3,5-difluorophenyl)-1-[(6-methoxy-2-methyl-3-pyridinyl)amino]-4-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one is COc1ccc(Nc2nc(=O)c(-c3ccccc3)c3n2C(c2cc(F)cc(F)c2)CC3)c(C)n1.

What is the InChIKey of 7-(3,5-difluorophenyl)-1-[(6-methoxy-2-methyl-3-pyridinyl)amino]-4-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one?

The InChIKey is DXEVFLMSRASELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F2N4O2/c1-15-20(8-11-23(29-15)34-2)30-26-31-25(33)24(16-6-4-3-5-7-16)22-10-9-21(32(22)26)17-12-18(27)14-19(28)13-17/h3-8,11-14,21H,9-10H2,1-2H3,(H,30,31,33).

What are the key properties of 7-(3,5-difluorophenyl)-1-[(6-methoxy-2-methyl-3-pyridinyl)amino]-4-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one?

7-(3,5-difluorophenyl)-1-[(6-methoxy-2-methyl-3-pyridinyl)amino]-4-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one has a molecular weight of 460.48 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(3,5-difluorophenyl)-1-[(6-methoxy-2-methyl-3-pyridinyl)amino]-4-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one is sourced from PubChem (CID 139421693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).