(5R)-2-methylsulfanyl-4,7-dioxo-N-[4-(trifluoromethyl)phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide

C16H13F3N4O3S — CID 136884874

IUPAC(5R)-2-methylsulfanyl-4,7-dioxo-N-[4-(trifluoromethyl)phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCSc1nc2c(c(=O)[nH]1)[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)CC(=O)N2
InChIInChI=1S/C16H13F3N4O3S/c1-27-15-22-12-11(14(26)23-15)9(6-10(24)21-12)13(25)20-8-4-2-7(3-5-8)16(17,18)19/h2-5,9H,6H2,1H3,(H,20,25)(H2,21,22,23,24,26)/t9-/m1/s1
InChIKeyIQDPQYQWDHWXDW-SECBINFHSA-N
MW398.37 g/mol
LogP2.58
Rot. Bonds3

About (5R)-2-methylsulfanyl-4,7-dioxo-N-[4-(trifluoromethyl)phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide

(5R)-2-methylsulfanyl-4,7-dioxo-N-[4-(trifluoromethyl)phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 136884874) has the molecular formula C16H13F3N4O3S and a molecular weight of 398.37 g/mol. Its IUPAC name is (5R)-2-methylsulfanyl-4,7-dioxo-N-[4-(trifluoromethyl)phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name(5R)-2-methylsulfanyl-4,7-dioxo-N-[4-(trifluoromethyl)phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
PubChem CID136884874
Molecular FormulaC16H13F3N4O3S
Molecular Weight398.37 g/mol
Exact Mass398.07
IUPAC Name(5R)-2-methylsulfanyl-4,7-dioxo-N-[4-(trifluoromethyl)phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCSc1nc2c(c(=O)[nH]1)[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)CC(=O)N2
InChIInChI=1S/C16H13F3N4O3S/c1-27-15-22-12-11(14(26)23-15)9(6-10(24)21-12)13(25)20-8-4-2-7(3-5-8)16(17,18)19/h2-5,9H,6H2,1H3,(H,20,25)(H2,21,22,23,24,26)/t9-/m1/s1
InChIKeyIQDPQYQWDHWXDW-SECBINFHSA-N
XLogP2.58
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.37
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (5R)-2-methylsulfanyl-4,7-dioxo-N-[4-(trifluoromethyl)phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-fluorophenyl)-2-methylsulfanyl-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 135986524
(5R)-N-(3,4-dimethylphenyl)-2-methylsulfanyl-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136885475
N-(3-chloro-4-methylphenyl)-2-methylsulfanyl-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 135986531
N-(5-fluoro-2-methylphenyl)-2-methylsulfanyl-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 135986849
2-ethylsulfanyl-N-(4-methylphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 135986539
(5R)-N-(2-ethylphenyl)-2-methylsulfanyl-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136884875
(5S)-N-(4-acetamidophenyl)-4,7-dioxo-2-[3-(trifluoromethyl)anilino]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136876629
(5R)-N-(4-bromo-2-methylphenyl)-2-methylsulfanyl-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136884891
(5R)-N-(2,4-dimethoxyphenyl)-2-methylsulfanyl-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136884897
(5S)-2-benzylsulfanyl-N-(4-ethylphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136885156
(5S)-2-benzylsulfanyl-N-(4-methylphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136885136
(5R)-4,7-dioxo-N-phenyl-2-[3-(trifluoromethyl)anilino]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136876604

Frequently Asked Questions

What is the IUPAC name of (5R)-2-methylsulfanyl-4,7-dioxo-N-[4-(trifluoromethyl)phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of (5R)-2-methylsulfanyl-4,7-dioxo-N-[4-(trifluoromethyl)phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide (CID 136884874) is (5R)-2-methylsulfanyl-4,7-dioxo-N-[4-(trifluoromethyl)phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for (5R)-2-methylsulfanyl-4,7-dioxo-N-[4-(trifluoromethyl)phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for (5R)-2-methylsulfanyl-4,7-dioxo-N-[4-(trifluoromethyl)phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide is CSc1nc2c(c(=O)[nH]1)[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)CC(=O)N2.
What is the InChIKey of (5R)-2-methylsulfanyl-4,7-dioxo-N-[4-(trifluoromethyl)phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is IQDPQYQWDHWXDW-SECBINFHSA-N. The full InChI is InChI=1S/C16H13F3N4O3S/c1-27-15-22-12-11(14(26)23-15)9(6-10(24)21-12)13(25)20-8-4-2-7(3-5-8)16(17,18)19/h2-5,9H,6H2,1H3,(H,20,25)(H2,21,22,23,24,26)/t9-/m1/s1.
What are the key properties of (5R)-2-methylsulfanyl-4,7-dioxo-N-[4-(trifluoromethyl)phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide?
(5R)-2-methylsulfanyl-4,7-dioxo-N-[4-(trifluoromethyl)phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 398.37 g/mol, XLogP of 2.58, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-methylsulfanyl-4,7-dioxo-N-[4-(trifluoromethyl)phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 136884874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).