[(3S)-1-[2-(furan-3-yl)-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4,4-dimethyl-3-[(4-methyl-2-oxopiperidin-1-yl)methyl]-1-oxopentan-3-yl] carbamate

C27H34F3N5O5 — CID 152602389

About [(3S)-1-[2-(furan-3-yl)-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4,4-dimethyl-3-[(4-methyl-2-oxopiperidin-1-yl)methyl]-1-oxopentan-3-yl] carbamate

[(3S)-1-[2-(furan-3-yl)-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4,4-dimethyl-3-[(4-methyl-2-oxopiperidin-1-yl)methyl]-1-oxopentan-3-yl] carbamate (PubChem CID 152602389) has the molecular formula C27H34F3N5O5 and a molecular weight of 565.59 g/mol. Its IUPAC name is [(3S)-1-[2-(furan-3-yl)-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4,4-dimethyl-3-[(4-methyl-2-oxopiperidin-1-yl)methyl]-1-oxopentan-3-yl] carbamate.

Molecular Properties

• Compound Name: [(3S)-1-[2-(furan-3-yl)-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4,4-dimethyl-3-[(4-methyl-2-oxopiperidin-1-yl)methyl]-1-oxopentan-3-yl] carbamate
• PubChem CID: 152602389
• Molecular Formula: C27H34F3N5O5
• Molecular Weight: 565.59 g/mol
• Exact Mass: 565.25
• IUPAC Name: [(3S)-1-[2-(furan-3-yl)-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4,4-dimethyl-3-[(4-methyl-2-oxopiperidin-1-yl)methyl]-1-oxopentan-3-yl] carbamate
• SMILES: CC1CCN(C[C@@](CC(=O)N2CCc3c(nc(-c4ccoc4)nc3C(F)(F)F)C2)(OC(N)=O)C(C)(C)C)C(=O)C1
• InChI: InChI=1S/C27H34F3N5O5/c1-16-5-8-35(20(36)11-16)15-26(25(2,3)4,40-24(31)38)12-21(37)34-9-6-18-19(13-34)32-23(17-7-10-39-14-17)33-22(18)27(28,29)30/h7,10,14,16H,5-6,8-9,11-13,15H2,1-4H3,(H2,31,38)/t16?,26-/m1/s1
• InChIKey: YXUUVDRYBCICJP-IIVOFZELSA-N
• XLogP: 4.17
• TPSA: 131.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	565.59
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[2-(furan-3-yl)-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4,4-dimethyl-3-[(4-methyl-2-oxopiperidin-1-yl)methyl]-1-oxopentan-3-yl] carbamate?

The IUPAC name of [(3S)-1-[2-(furan-3-yl)-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4,4-dimethyl-3-[(4-methyl-2-oxopiperidin-1-yl)methyl]-1-oxopentan-3-yl] carbamate (CID 152602389) is [(3S)-1-[2-(furan-3-yl)-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4,4-dimethyl-3-[(4-methyl-2-oxopiperidin-1-yl)methyl]-1-oxopentan-3-yl] carbamate.

What is the SMILES notation for [(3S)-1-[2-(furan-3-yl)-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4,4-dimethyl-3-[(4-methyl-2-oxopiperidin-1-yl)methyl]-1-oxopentan-3-yl] carbamate?

The canonical SMILES for [(3S)-1-[2-(furan-3-yl)-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4,4-dimethyl-3-[(4-methyl-2-oxopiperidin-1-yl)methyl]-1-oxopentan-3-yl] carbamate is CC1CCN(C[C@@](CC(=O)N2CCc3c(nc(-c4ccoc4)nc3C(F)(F)F)C2)(OC(N)=O)C(C)(C)C)C(=O)C1.

What is the InChIKey of [(3S)-1-[2-(furan-3-yl)-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4,4-dimethyl-3-[(4-methyl-2-oxopiperidin-1-yl)methyl]-1-oxopentan-3-yl] carbamate?

The InChIKey is YXUUVDRYBCICJP-IIVOFZELSA-N. The full InChI is InChI=1S/C27H34F3N5O5/c1-16-5-8-35(20(36)11-16)15-26(25(2,3)4,40-24(31)38)12-21(37)34-9-6-18-19(13-34)32-23(17-7-10-39-14-17)33-22(18)27(28,29)30/h7,10,14,16H,5-6,8-9,11-13,15H2,1-4H3,(H2,31,38)/t16?,26-/m1/s1.

What are the key properties of [(3S)-1-[2-(furan-3-yl)-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4,4-dimethyl-3-[(4-methyl-2-oxopiperidin-1-yl)methyl]-1-oxopentan-3-yl] carbamate?

[(3S)-1-[2-(furan-3-yl)-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4,4-dimethyl-3-[(4-methyl-2-oxopiperidin-1-yl)methyl]-1-oxopentan-3-yl] carbamate has a molecular weight of 565.59 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(3S)-1-[2-(furan-3-yl)-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4,4-dimethyl-3-[(4-methyl-2-oxopiperidin-1-yl)methyl]-1-oxopentan-3-yl] carbamate is sourced from PubChem (CID 152602389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).