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

C19H23F3N4O2 — CID 95834518

IUPAC7-[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-1,3-dimethyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(C(F)(F)F)cc([C@@H]3CCCN(CC4CC4)C3)nc2n(C)c1=O
InChIInChI=1S/C19H23F3N4O2/c1-24-16-15(17(27)25(2)18(24)28)13(19(20,21)22)8-14(23-16)12-4-3-7-26(10-12)9-11-5-6-11/h8,11-12H,3-7,9-10H2,1-2H3/t12-/m1/s1
InChIKeyVZQPBZKSGJJJTG-GFCCVEGCSA-N
MW396.41 g/mol
LogP2.24
Rot. Bonds3

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

7-[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-1,3-dimethyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 95834518) has the molecular formula C19H23F3N4O2 and a molecular weight of 396.41 g/mol. Its IUPAC name is 7-[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-1,3-dimethyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-1,3-dimethyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID95834518
Molecular FormulaC19H23F3N4O2
Molecular Weight396.41 g/mol
Exact Mass396.18
IUPAC Name7-[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-1,3-dimethyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(C(F)(F)F)cc([C@@H]3CCCN(CC4CC4)C3)nc2n(C)c1=O
InChIInChI=1S/C19H23F3N4O2/c1-24-16-15(17(27)25(2)18(24)28)13(19(20,21)22)8-14(23-16)12-4-3-7-26(10-12)9-11-5-6-11/h8,11-12H,3-7,9-10H2,1-2H3/t12-/m1/s1
InChIKeyVZQPBZKSGJJJTG-GFCCVEGCSA-N
XLogP2.24
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-1,3-dimethyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione with MolForge

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Related Compounds

7-(1-benzylpiperidin-3-yl)-1,3-dimethyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 110264735
7-[(2R)-1-(cyclohexanecarbonyl)pyrrolidin-2-yl]-1,3-dimethyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 92631142
1,3-dimethyl-7-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 92631662
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
1,3-dimethyl-7-[1-(2-phenylethyl)piperidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 110264730
(3S)-1-(cyclopropylmethyl)-3-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 95821575
2-[(3S)-1-(cyclopropylmethyl)piperidin-3-yl]-4,6-dimethylpyrimidine
CID 95821591
2-methyl-4-[(3S)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136782802
1,3-dimethyl-7-[(3R)-1-(2-pyrrolidin-1-ylacetyl)pyrrolidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 124987444
7-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-amine
CID 92630970
7-[1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 110264732

Frequently Asked Questions

What is the IUPAC name of 7-[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-1,3-dimethyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 7-[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-1,3-dimethyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione (CID 95834518) is 7-[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-1,3-dimethyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-1,3-dimethyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-[(3R)-1-(cyclopropylmethyl)piperidin-3-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]3CCCN(CC4CC4)C3)nc2n(C)c1=O.
What is the InChIKey of 7-[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-1,3-dimethyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is VZQPBZKSGJJJTG-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H23F3N4O2/c1-24-16-15(17(27)25(2)18(24)28)13(19(20,21)22)8-14(23-16)12-4-3-7-26(10-12)9-11-5-6-11/h8,11-12H,3-7,9-10H2,1-2H3/t12-/m1/s1.
What are the key properties of 7-[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-1,3-dimethyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
7-[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-1,3-dimethyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 396.41 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-1,3-dimethyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 95834518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).