1,3-dimethyl-7-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione

C20H23F3N4O4 — CID 92631662

IUPAC1,3-dimethyl-7-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(C(F)(F)F)cc(C3CCN(C(=O)[C@@H]4CCCO4)CC3)nc2n(C)c1=O
InChIInChI=1S/C20H23F3N4O4/c1-25-16-15(18(29)26(2)19(25)30)12(20(21,22)23)10-13(24-16)11-5-7-27(8-6-11)17(28)14-4-3-9-31-14/h10-11,14H,3-9H2,1-2H3/t14-/m0/s1
InChIKeyJMTAQDBMLCTVEX-AWEZNQCLSA-N
MW440.42 g/mol
LogP1.54
Rot. Bonds2

About 1,3-dimethyl-7-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione

1,3-dimethyl-7-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 92631662) has the molecular formula C20H23F3N4O4 and a molecular weight of 440.42 g/mol. Its IUPAC name is 1,3-dimethyl-7-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-7-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID92631662
Molecular FormulaC20H23F3N4O4
Molecular Weight440.42 g/mol
Exact Mass440.17
IUPAC Name1,3-dimethyl-7-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(C(F)(F)F)cc(C3CCN(C(=O)[C@@H]4CCCO4)CC3)nc2n(C)c1=O
InChIInChI=1S/C20H23F3N4O4/c1-25-16-15(18(29)26(2)19(25)30)12(20(21,22)23)10-13(24-16)11-5-7-27(8-6-11)17(28)14-4-3-9-31-14/h10-11,14H,3-9H2,1-2H3/t14-/m0/s1
InChIKeyJMTAQDBMLCTVEX-AWEZNQCLSA-N
XLogP1.54
TPSA86.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.42
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[(2R)-oxolan-2-yl]-[4-[3-(propan-2-ylamino)-4-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]methanone
CID 92631759
7-[(2R)-1-(cyclohexanecarbonyl)pyrrolidin-2-yl]-1,3-dimethyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 92631142
7-[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-1,3-dimethyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 95834518
oxolan-2-yl-[4-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methanone
CID 46954977
1-methyl-4-[4-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 110217761
7-(1-benzylpiperidin-3-yl)-1,3-dimethyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 110264735
1,3-dimethyl-8-[1-(oxolane-2-carbonyl)piperidin-3-yl]-7H-purine-2,6-dione
CID 91948277
cyclopropyl-[4-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]methanone
CID 92599471
1,3-dimethyl-7-[1-(pyridine-2-carbonyl)pyrrolidin-2-yl]-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 110264778
1,3-dimethyl-7-[(2S)-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 92631147
2-(5-methylpyrazin-2-yl)-4-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-1H-pyrimidin-6-one
CID 136874984
[4-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-[(2R)-oxan-2-yl]methanone
CID 124999857

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-7-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-7-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione (CID 92631662) is 1,3-dimethyl-7-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-7-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-7-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione is Cn1c(=O)c2c(C(F)(F)F)cc(C3CCN(C(=O)[C@@H]4CCCO4)CC3)nc2n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-7-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is JMTAQDBMLCTVEX-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H23F3N4O4/c1-25-16-15(18(29)26(2)19(25)30)12(20(21,22)23)10-13(24-16)11-5-7-27(8-6-11)17(28)14-4-3-9-31-14/h10-11,14H,3-9H2,1-2H3/t14-/m0/s1.
What are the key properties of 1,3-dimethyl-7-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
1,3-dimethyl-7-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 440.42 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-7-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 92631662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).