7-[(2R)-1-(cyclohexanecarbonyl)pyrrolidin-2-yl]-1,3-dimethyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione

C21H25F3N4O3 — CID 92631142

IUPAC7-[(2R)-1-(cyclohexanecarbonyl)pyrrolidin-2-yl]-1,3-dimethyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(C(F)(F)F)cc([C@H]3CCCN3C(=O)C3CCCCC3)nc2n(C)c1=O
InChIInChI=1S/C21H25F3N4O3/c1-26-17-16(19(30)27(2)20(26)31)13(21(22,23)24)11-14(25-17)15-9-6-10-28(15)18(29)12-7-4-3-5-8-12/h11-12,15H,3-10H2,1-2H3/t15-/m1/s1
InChIKeyUTWXYHVOYVOKSK-OAHLLOKOSA-N
MW438.45 g/mol
LogP2.89
Rot. Bonds2

About 7-[(2R)-1-(cyclohexanecarbonyl)pyrrolidin-2-yl]-1,3-dimethyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione

7-[(2R)-1-(cyclohexanecarbonyl)pyrrolidin-2-yl]-1,3-dimethyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 92631142) has the molecular formula C21H25F3N4O3 and a molecular weight of 438.45 g/mol. Its IUPAC name is 7-[(2R)-1-(cyclohexanecarbonyl)pyrrolidin-2-yl]-1,3-dimethyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-[(2R)-1-(cyclohexanecarbonyl)pyrrolidin-2-yl]-1,3-dimethyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID92631142
Molecular FormulaC21H25F3N4O3
Molecular Weight438.45 g/mol
Exact Mass438.19
IUPAC Name7-[(2R)-1-(cyclohexanecarbonyl)pyrrolidin-2-yl]-1,3-dimethyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(C(F)(F)F)cc([C@H]3CCCN3C(=O)C3CCCCC3)nc2n(C)c1=O
InChIInChI=1S/C21H25F3N4O3/c1-26-17-16(19(30)27(2)20(26)31)13(21(22,23)24)11-14(25-17)15-9-6-10-28(15)18(29)12-7-4-3-5-8-12/h11-12,15H,3-10H2,1-2H3/t15-/m1/s1
InChIKeyUTWXYHVOYVOKSK-OAHLLOKOSA-N
XLogP2.89
TPSA77.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.45
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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
7-[(2S)-1-(cyclopentanecarbonyl)piperidin-2-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 95834540
cyclohexyl-[(2S)-2-[3-(propan-2-ylamino)-4-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]methanone
CID 92630733
7-[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-1,3-dimethyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 95834518
7-(1-benzylpiperidin-3-yl)-1,3-dimethyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 110264735
4-[(2S)-1-(cyclobutanecarbonyl)pyrrolidin-2-yl]-2-methyl-1H-pyrimidin-6-one
CID 136869792
cyclohexyl-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 94002505
cyclohexyl-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 94002506
1-[(2R)-2-[3-(propan-2-ylamino)-4-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 92630664
7-[1-[3-(4-fluorophenyl)propanoyl]piperidin-2-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 110267067
cyclobutyl-[(2S)-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone
CID 95290891

Frequently Asked Questions

What is the IUPAC name of 7-[(2R)-1-(cyclohexanecarbonyl)pyrrolidin-2-yl]-1,3-dimethyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 7-[(2R)-1-(cyclohexanecarbonyl)pyrrolidin-2-yl]-1,3-dimethyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione (CID 92631142) is 7-[(2R)-1-(cyclohexanecarbonyl)pyrrolidin-2-yl]-1,3-dimethyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-[(2R)-1-(cyclohexanecarbonyl)pyrrolidin-2-yl]-1,3-dimethyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-[(2R)-1-(cyclohexanecarbonyl)pyrrolidin-2-yl]-1,3-dimethyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione is Cn1c(=O)c2c(C(F)(F)F)cc([C@H]3CCCN3C(=O)C3CCCCC3)nc2n(C)c1=O.
What is the InChIKey of 7-[(2R)-1-(cyclohexanecarbonyl)pyrrolidin-2-yl]-1,3-dimethyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is UTWXYHVOYVOKSK-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H25F3N4O3/c1-26-17-16(19(30)27(2)20(26)31)13(21(22,23)24)11-14(25-17)15-9-6-10-28(15)18(29)12-7-4-3-5-8-12/h11-12,15H,3-10H2,1-2H3/t15-/m1/s1.
What are the key properties of 7-[(2R)-1-(cyclohexanecarbonyl)pyrrolidin-2-yl]-1,3-dimethyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
7-[(2R)-1-(cyclohexanecarbonyl)pyrrolidin-2-yl]-1,3-dimethyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 438.45 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2R)-1-(cyclohexanecarbonyl)pyrrolidin-2-yl]-1,3-dimethyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 92631142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).