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

C20H18F3N5O3 — CID 92631147

IUPAC1,3-dimethyl-7-[(2S)-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(C(F)(F)F)cc([C@@H]3CCCN3C(=O)c3ccccn3)nc2n(C)c1=O
InChIInChI=1S/C20H18F3N5O3/c1-26-16-15(18(30)27(2)19(26)31)11(20(21,22)23)10-13(25-16)14-7-5-9-28(14)17(29)12-6-3-4-8-24-12/h3-4,6,8,10,14H,5,7,9H2,1-2H3/t14-/m0/s1
InChIKeyLOFKDCKTUHFLGD-AWEZNQCLSA-N
MW433.39 g/mol
LogP2.02
Rot. Bonds2

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

1,3-dimethyl-7-[(2S)-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 92631147) has the molecular formula C20H18F3N5O3 and a molecular weight of 433.39 g/mol. Its IUPAC name is 1,3-dimethyl-7-[(2S)-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-7-[(2S)-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID92631147
Molecular FormulaC20H18F3N5O3
Molecular Weight433.39 g/mol
Exact Mass433.14
IUPAC Name1,3-dimethyl-7-[(2S)-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(C(F)(F)F)cc([C@@H]3CCCN3C(=O)c3ccccn3)nc2n(C)c1=O
InChIInChI=1S/C20H18F3N5O3/c1-26-16-15(18(30)27(2)19(26)31)11(20(21,22)23)10-13(25-16)14-7-5-9-28(14)17(29)12-6-3-4-8-24-12/h3-4,6,8,10,14H,5,7,9H2,1-2H3/t14-/m0/s1
InChIKeyLOFKDCKTUHFLGD-AWEZNQCLSA-N
XLogP2.02
TPSA90.09 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.39
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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
7-[(2R)-1-(cyclohexanecarbonyl)pyrrolidin-2-yl]-1,3-dimethyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 92631142
7-(1-benzylpiperidin-3-yl)-1,3-dimethyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 110264735
1-[4-[2-methyl-6-[(2R)-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]-4-pyridinyl]piperazin-1-yl]ethanone
CID 92619790
7-[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-1,3-dimethyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 95834518
pyridin-2-yl-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 95813329
7-[2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 55582095
1-[1-(pyridine-2-carbonyl)pyrrolidin-2-yl]ethanone
CID 168983000
[(2R)-2-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 136886451
N,N-dimethyl-2-[(2R)-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-5-carboxamide
CID 124952535
1-[(2R)-2-[6-methyl-4-[4-(pyridine-2-carbonyl)piperazin-1-yl]-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 92619883
N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-[1-(pyridine-2-carbonyl)piperidin-2-yl]pyrimidine-4-carboxamide
CID 54712010

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-7-[(2S)-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-7-[(2S)-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione (CID 92631147) is 1,3-dimethyl-7-[(2S)-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-7-[(2S)-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-7-[(2S)-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione is Cn1c(=O)c2c(C(F)(F)F)cc([C@@H]3CCCN3C(=O)c3ccccn3)nc2n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-7-[(2S)-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is LOFKDCKTUHFLGD-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H18F3N5O3/c1-26-16-15(18(30)27(2)19(26)31)11(20(21,22)23)10-13(25-16)14-7-5-9-28(14)17(29)12-6-3-4-8-24-12/h3-4,6,8,10,14H,5,7,9H2,1-2H3/t14-/m0/s1.
What are the key properties of 1,3-dimethyl-7-[(2S)-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
1,3-dimethyl-7-[(2S)-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 433.39 g/mol, XLogP of 2.02, 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-[(2S)-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 92631147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).