6-(2-fluorophenyl)-8-methyl-2-[[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]amino]pyrido[2,3-d]pyrimidin-7-one

C21H21F4N5O3S — CID 23551802

IUPAC6-(2-fluorophenyl)-8-methyl-2-[[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]amino]pyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(-c2ccccc2F)cc2cnc(NC3CCN(S(=O)(=O)CC(F)(F)F)CC3)nc21
InChIInChI=1S/C21H21F4N5O3S/c1-29-18-13(10-16(19(29)31)15-4-2-3-5-17(15)22)11-26-20(28-18)27-14-6-8-30(9-7-14)34(32,33)12-21(23,24)25/h2-5,10-11,14H,6-9,12H2,1H3,(H,26,27,28)
InChIKeyVHWGSMUZIJZTRI-UHFFFAOYSA-N
MW499.49 g/mol
LogP2.90
Rot. Bonds5

About 6-(2-fluorophenyl)-8-methyl-2-[[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]amino]pyrido[2,3-d]pyrimidin-7-one

6-(2-fluorophenyl)-8-methyl-2-[[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]amino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 23551802) has the molecular formula C21H21F4N5O3S and a molecular weight of 499.49 g/mol. Its IUPAC name is 6-(2-fluorophenyl)-8-methyl-2-[[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]amino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2-fluorophenyl)-8-methyl-2-[[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]amino]pyrido[2,3-d]pyrimidin-7-one
PubChem CID23551802
Molecular FormulaC21H21F4N5O3S
Molecular Weight499.49 g/mol
Exact Mass499.13
IUPAC Name6-(2-fluorophenyl)-8-methyl-2-[[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]amino]pyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(-c2ccccc2F)cc2cnc(NC3CCN(S(=O)(=O)CC(F)(F)F)CC3)nc21
InChIInChI=1S/C21H21F4N5O3S/c1-29-18-13(10-16(19(29)31)15-4-2-3-5-17(15)22)11-26-20(28-18)27-14-6-8-30(9-7-14)34(32,33)12-21(23,24)25/h2-5,10-11,14H,6-9,12H2,1H3,(H,26,27,28)
InChIKeyVHWGSMUZIJZTRI-UHFFFAOYSA-N
XLogP2.90
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.49
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-(2-fluorophenyl)-8-methyl-2-[[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]amino]pyrido[2,3-d]pyrimidin-7-one 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

CID 11975075
CID 11975075
CID 153634358
CID 153634358
CID 153634491
CID 153634491
CID 153634747
CID 153634747
CID 153634896
CID 153634896
CID 56955962
CID 56955962
CID 70683521
CID 70683521
CID 70696131
CID 70696131
CID 9821717
CID 9821717
CID 20626917
CID 20626917
CID 23027527
CID 23027527
CID 23434654
CID 23434654

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenyl)-8-methyl-2-[[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]amino]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(2-fluorophenyl)-8-methyl-2-[[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]amino]pyrido[2,3-d]pyrimidin-7-one (CID 23551802) is 6-(2-fluorophenyl)-8-methyl-2-[[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]amino]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(2-fluorophenyl)-8-methyl-2-[[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]amino]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(2-fluorophenyl)-8-methyl-2-[[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]amino]pyrido[2,3-d]pyrimidin-7-one is Cn1c(=O)c(-c2ccccc2F)cc2cnc(NC3CCN(S(=O)(=O)CC(F)(F)F)CC3)nc21.
What is the InChIKey of 6-(2-fluorophenyl)-8-methyl-2-[[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]amino]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is VHWGSMUZIJZTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F4N5O3S/c1-29-18-13(10-16(19(29)31)15-4-2-3-5-17(15)22)11-26-20(28-18)27-14-6-8-30(9-7-14)34(32,33)12-21(23,24)25/h2-5,10-11,14H,6-9,12H2,1H3,(H,26,27,28).
What are the key properties of 6-(2-fluorophenyl)-8-methyl-2-[[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]amino]pyrido[2,3-d]pyrimidin-7-one?
6-(2-fluorophenyl)-8-methyl-2-[[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]amino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 499.49 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenyl)-8-methyl-2-[[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]amino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 23551802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).