N-[4-[2-amino-5-(4-hydroxy-3-methoxyphenyl)-1,2-dihydropyridin-3-yl]-3-fluorophenyl]-5-(5-bromo-1,2,3,4-tetrahydropyrimidin-2-yl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide

C34H36BrFN6O5 — CID 129135687

About N-[4-[2-amino-5-(4-hydroxy-3-methoxyphenyl)-1,2-dihydropyridin-3-yl]-3-fluorophenyl]-5-(5-bromo-1,2,3,4-tetrahydropyrimidin-2-yl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide

N-[4-[2-amino-5-(4-hydroxy-3-methoxyphenyl)-1,2-dihydropyridin-3-yl]-3-fluorophenyl]-5-(5-bromo-1,2,3,4-tetrahydropyrimidin-2-yl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide (PubChem CID 129135687) has the molecular formula C34H36BrFN6O5 and a molecular weight of 707.60 g/mol. Its IUPAC name is N-[4-[2-amino-5-(4-hydroxy-3-methoxyphenyl)-1,2-dihydropyridin-3-yl]-3-fluorophenyl]-5-(5-bromo-1,2,3,4-tetrahydropyrimidin-2-yl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-[2-amino-5-(4-hydroxy-3-methoxyphenyl)-1,2-dihydropyridin-3-yl]-3-fluorophenyl]-5-(5-bromo-1,2,3,4-tetrahydropyrimidin-2-yl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide
• PubChem CID: 129135687
• Molecular Formula: C34H36BrFN6O5
• Molecular Weight: 707.60 g/mol
• Exact Mass: 706.19
• IUPAC Name: N-[4-[2-amino-5-(4-hydroxy-3-methoxyphenyl)-1,2-dihydropyridin-3-yl]-3-fluorophenyl]-5-(5-bromo-1,2,3,4-tetrahydropyrimidin-2-yl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide
• SMILES: COc1cc(C2=CNC(N)C(c3ccc(NC(=O)c4cn(CC5CCOCC5)cc(C5NC=C(Br)CN5)c4=O)cc3F)=C2)ccc1O
• InChI: InChI=1S/C34H36BrFN6O5/c1-46-30-11-20(2-5-29(30)43)21-10-25(32(37)38-13-21)24-4-3-23(12-28(24)36)41-34(45)27-18-42(16-19-6-8-47-9-7-19)17-26(31(27)44)33-39-14-22(35)15-40-33/h2-5,10-14,17-19,32-33,38-40,43H,6-9,15-16,37H2,1H3,(H,41,45)
• InChIKey: DFODPJHCHMGOKL-UHFFFAOYSA-N
• XLogP: 4.12
• TPSA: 151.90 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	707.60
LogP ≤ 5	4.12
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-amino-5-(4-hydroxy-3-methoxyphenyl)-1,2-dihydropyridin-3-yl]-3-fluorophenyl]-5-(5-bromo-1,2,3,4-tetrahydropyrimidin-2-yl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide?

The IUPAC name of N-[4-[2-amino-5-(4-hydroxy-3-methoxyphenyl)-1,2-dihydropyridin-3-yl]-3-fluorophenyl]-5-(5-bromo-1,2,3,4-tetrahydropyrimidin-2-yl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide (CID 129135687) is N-[4-[2-amino-5-(4-hydroxy-3-methoxyphenyl)-1,2-dihydropyridin-3-yl]-3-fluorophenyl]-5-(5-bromo-1,2,3,4-tetrahydropyrimidin-2-yl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide.

What is the SMILES notation for N-[4-[2-amino-5-(4-hydroxy-3-methoxyphenyl)-1,2-dihydropyridin-3-yl]-3-fluorophenyl]-5-(5-bromo-1,2,3,4-tetrahydropyrimidin-2-yl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide?

The canonical SMILES for N-[4-[2-amino-5-(4-hydroxy-3-methoxyphenyl)-1,2-dihydropyridin-3-yl]-3-fluorophenyl]-5-(5-bromo-1,2,3,4-tetrahydropyrimidin-2-yl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide is COc1cc(C2=CNC(N)C(c3ccc(NC(=O)c4cn(CC5CCOCC5)cc(C5NC=C(Br)CN5)c4=O)cc3F)=C2)ccc1O.

What is the InChIKey of N-[4-[2-amino-5-(4-hydroxy-3-methoxyphenyl)-1,2-dihydropyridin-3-yl]-3-fluorophenyl]-5-(5-bromo-1,2,3,4-tetrahydropyrimidin-2-yl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide?

The InChIKey is DFODPJHCHMGOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36BrFN6O5/c1-46-30-11-20(2-5-29(30)43)21-10-25(32(37)38-13-21)24-4-3-23(12-28(24)36)41-34(45)27-18-42(16-19-6-8-47-9-7-19)17-26(31(27)44)33-39-14-22(35)15-40-33/h2-5,10-14,17-19,32-33,38-40,43H,6-9,15-16,37H2,1H3,(H,41,45).

What are the key properties of N-[4-[2-amino-5-(4-hydroxy-3-methoxyphenyl)-1,2-dihydropyridin-3-yl]-3-fluorophenyl]-5-(5-bromo-1,2,3,4-tetrahydropyrimidin-2-yl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide?

N-[4-[2-amino-5-(4-hydroxy-3-methoxyphenyl)-1,2-dihydropyridin-3-yl]-3-fluorophenyl]-5-(5-bromo-1,2,3,4-tetrahydropyrimidin-2-yl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide has a molecular weight of 707.60 g/mol, XLogP of 4.12, 8 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-amino-5-(4-hydroxy-3-methoxyphenyl)-1,2-dihydropyridin-3-yl]-3-fluorophenyl]-5-(5-bromo-1,2,3,4-tetrahydropyrimidin-2-yl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide is sourced from PubChem (CID 129135687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).