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

C23H32F3N5O2 — CID 11952829

IUPAC(5R)-1-[(2S)-2-amino-4-[2-cyclopentyl-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-oxobutyl]-5-methylpiperidin-2-one
SMILESC[C@@H]1CCC(=O)N(C[C@@H](N)CC(=O)N2CCc3c(nc(C4CCCC4)nc3C(F)(F)F)C2)C1
InChIInChI=1S/C23H32F3N5O2/c1-14-6-7-19(32)31(11-14)12-16(27)10-20(33)30-9-8-17-18(13-30)28-22(15-4-2-3-5-15)29-21(17)23(24,25)26/h14-16H,2-13,27H2,1H3/t14-,16+/m1/s1
InChIKeyDJNMQSVECLAYMK-ZBFHGGJFSA-N
MW467.54 g/mol
LogP3.01
Rot. Bonds5

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

(5R)-1-[(2S)-2-amino-4-[2-cyclopentyl-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-oxobutyl]-5-methylpiperidin-2-one (PubChem CID 11952829) has the molecular formula C23H32F3N5O2 and a molecular weight of 467.54 g/mol. Its IUPAC name is (5R)-1-[(2S)-2-amino-4-[2-cyclopentyl-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-oxobutyl]-5-methylpiperidin-2-one.

Molecular Properties

Compound Name(5R)-1-[(2S)-2-amino-4-[2-cyclopentyl-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-oxobutyl]-5-methylpiperidin-2-one
PubChem CID11952829
Molecular FormulaC23H32F3N5O2
Molecular Weight467.54 g/mol
Exact Mass467.25
IUPAC Name(5R)-1-[(2S)-2-amino-4-[2-cyclopentyl-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-oxobutyl]-5-methylpiperidin-2-one
SMILESC[C@@H]1CCC(=O)N(C[C@@H](N)CC(=O)N2CCc3c(nc(C4CCCC4)nc3C(F)(F)F)C2)C1
InChIInChI=1S/C23H32F3N5O2/c1-14-6-7-19(32)31(11-14)12-16(27)10-20(33)30-9-8-17-18(13-30)28-22(15-4-2-3-5-15)29-21(17)23(24,25)26/h14-16H,2-13,27H2,1H3/t14-,16+/m1/s1
InChIKeyDJNMQSVECLAYMK-ZBFHGGJFSA-N
XLogP3.01
TPSA92.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.54
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

Gemigliptin
CID 11953153
LC-15-0636
CID 42635875
1-[(2S)-2-amino-4-[2-cyclobutyl-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-oxobutyl]-5,5-difluoro-6-hydroxypiperidin-2-one
CID 44126186
1-[(2S)-2-amino-4-[2-tert-butyl-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-oxobutyl]-5-fluoro-6-hydroxypiperidin-2-one
CID 44126187
Unii-Q2T6S838TV
CID 44126237
1-[(2S)-2-amino-4-oxo-4-[2-propyl-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]butyl]-5,5-difluoro-6-hydroxypiperidin-2-one
CID 44126238
1-[(2S)-2-amino-4-[2-tert-butyl-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-oxobutyl]-5,5-difluoro-6-hydroxypiperidin-2-one
CID 44126239
(6S)-1-[(2S)-2-amino-4-[2-(2-methoxyethyl)-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-oxobutyl]-5,5-difluoro-6-hydroxypiperidin-2-one
CID 44126292
(6R)-1-[(2S)-2-amino-4-[2-(2-methoxyethyl)-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-oxobutyl]-5,5-difluoro-6-hydroxypiperidin-2-one
CID 44126341
1-[(2S)-2-amino-4-oxo-4-[2-propyl-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]butyl]-5-fluoro-6-hydroxypiperidin-2-one
CID 59550098
1-[(2S)-2-amino-4-[2,4-bis(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-oxobutyl]-3,3-difluoropiperidine-2,6-dione
CID 44126345
N-{1-[7-acetyl-2-(dimethylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperidin-4-yl}acetamide
CID 56871379

Frequently Asked Questions

What is the IUPAC name of (5R)-1-[(2S)-2-amino-4-[2-cyclopentyl-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-oxobutyl]-5-methylpiperidin-2-one?
The IUPAC name of (5R)-1-[(2S)-2-amino-4-[2-cyclopentyl-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-oxobutyl]-5-methylpiperidin-2-one (CID 11952829) is (5R)-1-[(2S)-2-amino-4-[2-cyclopentyl-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-oxobutyl]-5-methylpiperidin-2-one.
What is the SMILES notation for (5R)-1-[(2S)-2-amino-4-[2-cyclopentyl-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-oxobutyl]-5-methylpiperidin-2-one?
The canonical SMILES for (5R)-1-[(2S)-2-amino-4-[2-cyclopentyl-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-oxobutyl]-5-methylpiperidin-2-one is C[C@@H]1CCC(=O)N(C[C@@H](N)CC(=O)N2CCc3c(nc(C4CCCC4)nc3C(F)(F)F)C2)C1.
What is the InChIKey of (5R)-1-[(2S)-2-amino-4-[2-cyclopentyl-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-oxobutyl]-5-methylpiperidin-2-one?
The InChIKey is DJNMQSVECLAYMK-ZBFHGGJFSA-N. The full InChI is InChI=1S/C23H32F3N5O2/c1-14-6-7-19(32)31(11-14)12-16(27)10-20(33)30-9-8-17-18(13-30)28-22(15-4-2-3-5-15)29-21(17)23(24,25)26/h14-16H,2-13,27H2,1H3/t14-,16+/m1/s1.
What are the key properties of (5R)-1-[(2S)-2-amino-4-[2-cyclopentyl-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-oxobutyl]-5-methylpiperidin-2-one?
(5R)-1-[(2S)-2-amino-4-[2-cyclopentyl-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-oxobutyl]-5-methylpiperidin-2-one has a molecular weight of 467.54 g/mol, XLogP of 3.01, 5 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-[2-cyclopentyl-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-oxobutyl]-5-methylpiperidin-2-one is sourced from PubChem (CID 11952829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).