N-methyl-N-[2-[2-[4-(1-methylpiperidin-3-yl)oxyanilino]-7-oxo-6-[4-pyridin-4-yl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide

C35H36F3N7O4S — CID 71249879

IUPACN-methyl-N-[2-[2-[4-(1-methylpiperidin-3-yl)oxyanilino]-7-oxo-6-[4-pyridin-4-yl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide
SMILESCN1CCCC(Oc2ccc(Nc3ncc4cc(-c5ccc(-c6ccncc6)cc5C(F)(F)F)c(=O)n(CCN(C)S(C)(=O)=O)c4n3)cc2)C1
InChIInChI=1S/C35H36F3N7O4S/c1-43-16-4-5-28(22-43)49-27-9-7-26(8-10-27)41-34-40-21-25-19-30(33(46)45(32(25)42-34)18-17-44(2)50(3,47)48)29-11-6-24(20-31(29)35(36,37)38)23-12-14-39-15-13-23/h6-15,19-21,28H,4-5,16-18,22H2,1-3H3,(H,40,41,42)
InChIKeySPBWIKAPJVEDRT-UHFFFAOYSA-N
MW707.78 g/mol
LogP5.65
Rot. Bonds10

About N-methyl-N-[2-[2-[4-(1-methylpiperidin-3-yl)oxyanilino]-7-oxo-6-[4-pyridin-4-yl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide

N-methyl-N-[2-[2-[4-(1-methylpiperidin-3-yl)oxyanilino]-7-oxo-6-[4-pyridin-4-yl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide (PubChem CID 71249879) has the molecular formula C35H36F3N7O4S and a molecular weight of 707.78 g/mol. Its IUPAC name is N-methyl-N-[2-[2-[4-(1-methylpiperidin-3-yl)oxyanilino]-7-oxo-6-[4-pyridin-4-yl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-[2-[4-(1-methylpiperidin-3-yl)oxyanilino]-7-oxo-6-[4-pyridin-4-yl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide
PubChem CID71249879
Molecular FormulaC35H36F3N7O4S
Molecular Weight707.78 g/mol
Exact Mass707.25
IUPAC NameN-methyl-N-[2-[2-[4-(1-methylpiperidin-3-yl)oxyanilino]-7-oxo-6-[4-pyridin-4-yl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide
SMILESCN1CCCC(Oc2ccc(Nc3ncc4cc(-c5ccc(-c6ccncc6)cc5C(F)(F)F)c(=O)n(CCN(C)S(C)(=O)=O)c4n3)cc2)C1
InChIInChI=1S/C35H36F3N7O4S/c1-43-16-4-5-28(22-43)49-27-9-7-26(8-10-27)41-34-40-21-25-19-30(33(46)45(32(25)42-34)18-17-44(2)50(3,47)48)29-11-6-24(20-31(29)35(36,37)38)23-12-14-39-15-13-23/h6-15,19-21,28H,4-5,16-18,22H2,1-3H3,(H,40,41,42)
InChIKeySPBWIKAPJVEDRT-UHFFFAOYSA-N
XLogP5.65
TPSA122.55 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.78
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-methyl-N-[2-[2-[4-(1-methylpiperidin-3-yl)oxyanilino]-7-oxo-6-[4-pyridin-4-yl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[2-[4-(1-methylpiperidin-3-yl)oxyanilino]-7-oxo-6-[4-pyridin-4-yl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide?
The IUPAC name of N-methyl-N-[2-[2-[4-(1-methylpiperidin-3-yl)oxyanilino]-7-oxo-6-[4-pyridin-4-yl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide (CID 71249879) is N-methyl-N-[2-[2-[4-(1-methylpiperidin-3-yl)oxyanilino]-7-oxo-6-[4-pyridin-4-yl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[2-[2-[4-(1-methylpiperidin-3-yl)oxyanilino]-7-oxo-6-[4-pyridin-4-yl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[2-[2-[4-(1-methylpiperidin-3-yl)oxyanilino]-7-oxo-6-[4-pyridin-4-yl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide is CN1CCCC(Oc2ccc(Nc3ncc4cc(-c5ccc(-c6ccncc6)cc5C(F)(F)F)c(=O)n(CCN(C)S(C)(=O)=O)c4n3)cc2)C1.
What is the InChIKey of N-methyl-N-[2-[2-[4-(1-methylpiperidin-3-yl)oxyanilino]-7-oxo-6-[4-pyridin-4-yl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide?
The InChIKey is SPBWIKAPJVEDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36F3N7O4S/c1-43-16-4-5-28(22-43)49-27-9-7-26(8-10-27)41-34-40-21-25-19-30(33(46)45(32(25)42-34)18-17-44(2)50(3,47)48)29-11-6-24(20-31(29)35(36,37)38)23-12-14-39-15-13-23/h6-15,19-21,28H,4-5,16-18,22H2,1-3H3,(H,40,41,42).
What are the key properties of N-methyl-N-[2-[2-[4-(1-methylpiperidin-3-yl)oxyanilino]-7-oxo-6-[4-pyridin-4-yl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide?
N-methyl-N-[2-[2-[4-(1-methylpiperidin-3-yl)oxyanilino]-7-oxo-6-[4-pyridin-4-yl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide has a molecular weight of 707.78 g/mol, XLogP of 5.65, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[2-[4-(1-methylpiperidin-3-yl)oxyanilino]-7-oxo-6-[4-pyridin-4-yl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 71249879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).