N-[(2S)-1-[(2S)-2-methyl-5-oxomorpholin-4-yl]-4-oxo-4-[2-phenyl-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]butan-2-yl]carbamate

C24H25F3N5O5- — CID 152750588

About N-[(2S)-1-[(2S)-2-methyl-5-oxomorpholin-4-yl]-4-oxo-4-[2-phenyl-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]butan-2-yl]carbamate

N-[(2S)-1-[(2S)-2-methyl-5-oxomorpholin-4-yl]-4-oxo-4-[2-phenyl-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]butan-2-yl]carbamate (PubChem CID 152750588) has the molecular formula C24H25F3N5O5- and a molecular weight of 520.49 g/mol. Its IUPAC name is N-[(2S)-1-[(2S)-2-methyl-5-oxomorpholin-4-yl]-4-oxo-4-[2-phenyl-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]butan-2-yl]carbamate.

Molecular Properties

• Compound Name: N-[(2S)-1-[(2S)-2-methyl-5-oxomorpholin-4-yl]-4-oxo-4-[2-phenyl-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]butan-2-yl]carbamate
• PubChem CID: 152750588
• Molecular Formula: C24H25F3N5O5-
• Molecular Weight: 520.49 g/mol
• Exact Mass: 520.18
• IUPAC Name: N-[(2S)-1-[(2S)-2-methyl-5-oxomorpholin-4-yl]-4-oxo-4-[2-phenyl-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]butan-2-yl]carbamate
• SMILES: C[C@H]1CN(C[C@H](CC(=O)N2CCc3c(nc(-c4ccccc4)nc3C(F)(F)F)C2)NC(=O)[O-])C(=O)CO1
• InChI: InChI=1S/C24H26F3N5O5/c1-14-10-32(20(34)13-37-14)11-16(28-23(35)36)9-19(33)31-8-7-17-18(12-31)29-22(15-5-3-2-4-6-15)30-21(17)24(25,26)27/h2-6,14,16,28H,7-13H2,1H3,(H,35,36)/p-1/t14-,16-/m0/s1
• InChIKey: OYKRTHZDBLBNKK-HOCLYGCPSA-M
• XLogP: 0.99
• TPSA: 127.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.49
LogP ≤ 5	0.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(2S)-2-methyl-5-oxomorpholin-4-yl]-4-oxo-4-[2-phenyl-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]butan-2-yl]carbamate?

The IUPAC name of N-[(2S)-1-[(2S)-2-methyl-5-oxomorpholin-4-yl]-4-oxo-4-[2-phenyl-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]butan-2-yl]carbamate (CID 152750588) is N-[(2S)-1-[(2S)-2-methyl-5-oxomorpholin-4-yl]-4-oxo-4-[2-phenyl-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]butan-2-yl]carbamate.

What is the SMILES notation for N-[(2S)-1-[(2S)-2-methyl-5-oxomorpholin-4-yl]-4-oxo-4-[2-phenyl-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]butan-2-yl]carbamate?

The canonical SMILES for N-[(2S)-1-[(2S)-2-methyl-5-oxomorpholin-4-yl]-4-oxo-4-[2-phenyl-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]butan-2-yl]carbamate is C[C@H]1CN(C[C@H](CC(=O)N2CCc3c(nc(-c4ccccc4)nc3C(F)(F)F)C2)NC(=O)[O-])C(=O)CO1.

What is the InChIKey of N-[(2S)-1-[(2S)-2-methyl-5-oxomorpholin-4-yl]-4-oxo-4-[2-phenyl-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]butan-2-yl]carbamate?

The InChIKey is OYKRTHZDBLBNKK-HOCLYGCPSA-M. The full InChI is InChI=1S/C24H26F3N5O5/c1-14-10-32(20(34)13-37-14)11-16(28-23(35)36)9-19(33)31-8-7-17-18(12-31)29-22(15-5-3-2-4-6-15)30-21(17)24(25,26)27/h2-6,14,16,28H,7-13H2,1H3,(H,35,36)/p-1/t14-,16-/m0/s1.

What are the key properties of N-[(2S)-1-[(2S)-2-methyl-5-oxomorpholin-4-yl]-4-oxo-4-[2-phenyl-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]butan-2-yl]carbamate?

N-[(2S)-1-[(2S)-2-methyl-5-oxomorpholin-4-yl]-4-oxo-4-[2-phenyl-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]butan-2-yl]carbamate has a molecular weight of 520.49 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-[(2S)-2-methyl-5-oxomorpholin-4-yl]-4-oxo-4-[2-phenyl-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]butan-2-yl]carbamate is sourced from PubChem (CID 152750588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).