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

C23H27F3N6O2 — CID 11952967

IUPAC(5R)-1-[(2S)-2-amino-4-oxo-4-[2-pyridin-4-yl-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(nc(-c4ccncc4)nc3C(F)(F)F)C2)C1
InChIInChI=1S/C23H27F3N6O2/c1-14-2-3-19(33)32(11-14)12-16(27)10-20(34)31-9-6-17-18(13-31)29-22(15-4-7-28-8-5-15)30-21(17)23(24,25)26/h4-5,7-8,14,16H,2-3,6,9-13,27H2,1H3/t14-,16+/m1/s1
InChIKeyRNXARZUJEQCSDC-ZBFHGGJFSA-N
MW476.50 g/mol
LogP2.42
Rot. Bonds5

About (5R)-1-[(2S)-2-amino-4-oxo-4-[2-pyridin-4-yl-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-[2-pyridin-4-yl-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]butyl]-5-methylpiperidin-2-one (PubChem CID 11952967) has the molecular formula C23H27F3N6O2 and a molecular weight of 476.50 g/mol. Its IUPAC name is (5R)-1-[(2S)-2-amino-4-oxo-4-[2-pyridin-4-yl-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-[2-pyridin-4-yl-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]butyl]-5-methylpiperidin-2-one
PubChem CID11952967
Molecular FormulaC23H27F3N6O2
Molecular Weight476.50 g/mol
Exact Mass476.21
IUPAC Name(5R)-1-[(2S)-2-amino-4-oxo-4-[2-pyridin-4-yl-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(nc(-c4ccncc4)nc3C(F)(F)F)C2)C1
InChIInChI=1S/C23H27F3N6O2/c1-14-2-3-19(33)32(11-14)12-16(27)10-20(34)31-9-6-17-18(13-31)29-22(15-4-7-28-8-5-15)30-21(17)23(24,25)26/h4-5,7-8,14,16H,2-3,6,9-13,27H2,1H3/t14-,16+/m1/s1
InChIKeyRNXARZUJEQCSDC-ZBFHGGJFSA-N
XLogP2.42
TPSA105.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.50
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

(6S)-1-[(2S)-2-amino-4-oxo-4-[2-pyridin-4-yl-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]butyl]-5,5-difluoro-6-hydroxypiperidin-2-one
CID 44126288
9-(6-Amino-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-4a,5,6,6a,7,8,9,10,10a,10b-decahydropyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 129012341
N-[(4-fluorophenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide
CID 3223222
6-(4-(pyridin-2-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-ylamino)-3,4-dihydroquinolin-2(1H)-one
CID 11596788
1-[6-[6-Amino-4-(trifluoromethyl)pyridin-3-yl]-2-morpholin-4-ylpyrimidin-4-yl]piperidin-2-one
CID 59507788
6-[3-[6-(1,1-difluoroethyl)-3-pyridinyl]propanoyl]-2-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide
CID 71540077
1-Benzyl-N-(4-(4-(2-(tert-butyl)-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)piperidine-4-carboxamide
CID 73671062
[3-[2-Methyl-6-[[5-(trifluoromethyl)pyridin-2-yl]amino]pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
CID 86342000
[3-[2-Methyl-6-[[4-(trifluoromethyl)pyridin-2-yl]amino]pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
CID 117685339
1-[4-[2-(3,3-Difluoroazetidin-1-yl)-6-[[4-(trifluoromethyl)pyridin-2-yl]amino]pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 117685391
1-[4-[2-Morpholin-4-yl-6-[[4-(trifluoromethyl)pyridin-2-yl]amino]pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 117685483
1-[4-[2-(3,3-Difluoropyrrolidin-1-yl)-6-[[4-(trifluoromethyl)pyridin-2-yl]amino]pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 117685497

Frequently Asked Questions

What is the IUPAC name of (5R)-1-[(2S)-2-amino-4-oxo-4-[2-pyridin-4-yl-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-[2-pyridin-4-yl-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]butyl]-5-methylpiperidin-2-one (CID 11952967) is (5R)-1-[(2S)-2-amino-4-oxo-4-[2-pyridin-4-yl-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-[2-pyridin-4-yl-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-[2-pyridin-4-yl-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(nc(-c4ccncc4)nc3C(F)(F)F)C2)C1.
What is the InChIKey of (5R)-1-[(2S)-2-amino-4-oxo-4-[2-pyridin-4-yl-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]butyl]-5-methylpiperidin-2-one?
The InChIKey is RNXARZUJEQCSDC-ZBFHGGJFSA-N. The full InChI is InChI=1S/C23H27F3N6O2/c1-14-2-3-19(33)32(11-14)12-16(27)10-20(34)31-9-6-17-18(13-31)29-22(15-4-7-28-8-5-15)30-21(17)23(24,25)26/h4-5,7-8,14,16H,2-3,6,9-13,27H2,1H3/t14-,16+/m1/s1.
What are the key properties of (5R)-1-[(2S)-2-amino-4-oxo-4-[2-pyridin-4-yl-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-[2-pyridin-4-yl-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]butyl]-5-methylpiperidin-2-one has a molecular weight of 476.50 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-[(2S)-2-amino-4-oxo-4-[2-pyridin-4-yl-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]butyl]-5-methylpiperidin-2-one is sourced from PubChem (CID 11952967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).