(5R)-1-[(2S)-2-amino-4-oxo-4-[4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]butyl]-5-methylpiperidin-2-one

C18H24F3N5O2 — CID 11952728

IUPAC(5R)-1-[(2S)-2-amino-4-oxo-4-[4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]butyl]-5-methylpiperidin-2-one
SMILESC[C@@H]1CCC(=O)N(C[C@@H](N)CC(=O)N2CCc3c(ncnc3C(F)(F)F)C2)C1
InChIInChI=1S/C18H24F3N5O2/c1-11-2-3-15(27)26(7-11)8-12(22)6-16(28)25-5-4-13-14(9-25)23-10-24-17(13)18(19,20)21/h10-12H,2-9,22H2,1H3/t11-,12+/m1/s1
InChIKeyBIMNMVZQBKWJDV-NEPJUHHUSA-N
MW399.42 g/mol
LogP1.36
Rot. Bonds4

About (5R)-1-[(2S)-2-amino-4-oxo-4-[4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]butyl]-5-methylpiperidin-2-one

(5R)-1-[(2S)-2-amino-4-oxo-4-[4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]butyl]-5-methylpiperidin-2-one (PubChem CID 11952728) has the molecular formula C18H24F3N5O2 and a molecular weight of 399.42 g/mol. Its IUPAC name is (5R)-1-[(2S)-2-amino-4-oxo-4-[4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]butyl]-5-methylpiperidin-2-one.

Molecular Properties

Compound Name(5R)-1-[(2S)-2-amino-4-oxo-4-[4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]butyl]-5-methylpiperidin-2-one
PubChem CID11952728
Molecular FormulaC18H24F3N5O2
Molecular Weight399.42 g/mol
Exact Mass399.19
IUPAC Name(5R)-1-[(2S)-2-amino-4-oxo-4-[4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]butyl]-5-methylpiperidin-2-one
SMILESC[C@@H]1CCC(=O)N(C[C@@H](N)CC(=O)N2CCc3c(ncnc3C(F)(F)F)C2)C1
InChIInChI=1S/C18H24F3N5O2/c1-11-2-3-15(27)26(7-11)8-12(22)6-16(28)25-5-4-13-14(9-25)23-10-24-17(13)18(19,20)21/h10-12H,2-9,22H2,1H3/t11-,12+/m1/s1
InChIKeyBIMNMVZQBKWJDV-NEPJUHHUSA-N
XLogP1.36
TPSA92.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.42
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5R)-1-[(2S)-2-amino-4-oxo-4-[4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]butyl]-5-methylpiperidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5R)-1-[(2S)-2-amino-4-oxo-4-[4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]butyl]-5-methylpiperidin-2-one?
The IUPAC name of (5R)-1-[(2S)-2-amino-4-oxo-4-[4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]butyl]-5-methylpiperidin-2-one (CID 11952728) is (5R)-1-[(2S)-2-amino-4-oxo-4-[4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]butyl]-5-methylpiperidin-2-one.
What is the SMILES notation for (5R)-1-[(2S)-2-amino-4-oxo-4-[4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]butyl]-5-methylpiperidin-2-one?
The canonical SMILES for (5R)-1-[(2S)-2-amino-4-oxo-4-[4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]butyl]-5-methylpiperidin-2-one is C[C@@H]1CCC(=O)N(C[C@@H](N)CC(=O)N2CCc3c(ncnc3C(F)(F)F)C2)C1.
What is the InChIKey of (5R)-1-[(2S)-2-amino-4-oxo-4-[4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]butyl]-5-methylpiperidin-2-one?
The InChIKey is BIMNMVZQBKWJDV-NEPJUHHUSA-N. The full InChI is InChI=1S/C18H24F3N5O2/c1-11-2-3-15(27)26(7-11)8-12(22)6-16(28)25-5-4-13-14(9-25)23-10-24-17(13)18(19,20)21/h10-12H,2-9,22H2,1H3/t11-,12+/m1/s1.
What are the key properties of (5R)-1-[(2S)-2-amino-4-oxo-4-[4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]butyl]-5-methylpiperidin-2-one?
(5R)-1-[(2S)-2-amino-4-oxo-4-[4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]butyl]-5-methylpiperidin-2-one has a molecular weight of 399.42 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-[(2S)-2-amino-4-oxo-4-[4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]butyl]-5-methylpiperidin-2-one is sourced from PubChem (CID 11952728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).