tert-butyl N-[(2S)-4-[2-[(4-fluorophenyl)methyl]-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-1-[(5R)-5-methyl-2-oxopiperidin-1-yl]-4-oxobutan-2-yl]carbamate

C30H37F4N5O4 — CID 141305640

About tert-butyl N-[(2S)-4-[2-[(4-fluorophenyl)methyl]-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-1-[(5R)-5-methyl-2-oxopiperidin-1-yl]-4-oxobutan-2-yl]carbamate

tert-butyl N-[(2S)-4-[2-[(4-fluorophenyl)methyl]-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-1-[(5R)-5-methyl-2-oxopiperidin-1-yl]-4-oxobutan-2-yl]carbamate (PubChem CID 141305640) has the molecular formula C30H37F4N5O4 and a molecular weight of 607.65 g/mol. Its IUPAC name is tert-butyl N-[(2S)-4-[2-[(4-fluorophenyl)methyl]-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-1-[(5R)-5-methyl-2-oxopiperidin-1-yl]-4-oxobutan-2-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[(2S)-4-[2-[(4-fluorophenyl)methyl]-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-1-[(5R)-5-methyl-2-oxopiperidin-1-yl]-4-oxobutan-2-yl]carbamate
• PubChem CID: 141305640
• Molecular Formula: C30H37F4N5O4
• Molecular Weight: 607.65 g/mol
• Exact Mass: 607.28
• IUPAC Name: tert-butyl N-[(2S)-4-[2-[(4-fluorophenyl)methyl]-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-1-[(5R)-5-methyl-2-oxopiperidin-1-yl]-4-oxobutan-2-yl]carbamate
• SMILES: C[C@@H]1CCC(=O)N(C[C@H](CC(=O)N2CCc3c(nc(Cc4ccc(F)cc4)nc3C(F)(F)F)C2)NC(=O)OC(C)(C)C)C1
• InChI: InChI=1S/C30H37F4N5O4/c1-18-5-10-25(40)39(15-18)16-21(35-28(42)43-29(2,3)4)14-26(41)38-12-11-22-23(17-38)36-24(37-27(22)30(32,33)34)13-19-6-8-20(31)9-7-19/h6-9,18,21H,5,10-17H2,1-4H3,(H,35,42)/t18-,21+/m1/s1
• InChIKey: SGQJMPANZRKALT-NQIIRXRSSA-N
• XLogP: 4.65
• TPSA: 104.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	607.65
LogP ≤ 5	4.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-4-[2-[(4-fluorophenyl)methyl]-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-1-[(5R)-5-methyl-2-oxopiperidin-1-yl]-4-oxobutan-2-yl]carbamate?

The IUPAC name of tert-butyl N-[(2S)-4-[2-[(4-fluorophenyl)methyl]-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-1-[(5R)-5-methyl-2-oxopiperidin-1-yl]-4-oxobutan-2-yl]carbamate (CID 141305640) is tert-butyl N-[(2S)-4-[2-[(4-fluorophenyl)methyl]-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-1-[(5R)-5-methyl-2-oxopiperidin-1-yl]-4-oxobutan-2-yl]carbamate.

What is the SMILES notation for tert-butyl N-[(2S)-4-[2-[(4-fluorophenyl)methyl]-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-1-[(5R)-5-methyl-2-oxopiperidin-1-yl]-4-oxobutan-2-yl]carbamate?

The canonical SMILES for tert-butyl N-[(2S)-4-[2-[(4-fluorophenyl)methyl]-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-1-[(5R)-5-methyl-2-oxopiperidin-1-yl]-4-oxobutan-2-yl]carbamate is C[C@@H]1CCC(=O)N(C[C@H](CC(=O)N2CCc3c(nc(Cc4ccc(F)cc4)nc3C(F)(F)F)C2)NC(=O)OC(C)(C)C)C1.

What is the InChIKey of tert-butyl N-[(2S)-4-[2-[(4-fluorophenyl)methyl]-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-1-[(5R)-5-methyl-2-oxopiperidin-1-yl]-4-oxobutan-2-yl]carbamate?

The InChIKey is SGQJMPANZRKALT-NQIIRXRSSA-N. The full InChI is InChI=1S/C30H37F4N5O4/c1-18-5-10-25(40)39(15-18)16-21(35-28(42)43-29(2,3)4)14-26(41)38-12-11-22-23(17-38)36-24(37-27(22)30(32,33)34)13-19-6-8-20(31)9-7-19/h6-9,18,21H,5,10-17H2,1-4H3,(H,35,42)/t18-,21+/m1/s1.

What are the key properties of tert-butyl N-[(2S)-4-[2-[(4-fluorophenyl)methyl]-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-1-[(5R)-5-methyl-2-oxopiperidin-1-yl]-4-oxobutan-2-yl]carbamate?

tert-butyl N-[(2S)-4-[2-[(4-fluorophenyl)methyl]-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-1-[(5R)-5-methyl-2-oxopiperidin-1-yl]-4-oxobutan-2-yl]carbamate has a molecular weight of 607.65 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(2S)-4-[2-[(4-fluorophenyl)methyl]-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-1-[(5R)-5-methyl-2-oxopiperidin-1-yl]-4-oxobutan-2-yl]carbamate is sourced from PubChem (CID 141305640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).