N-[5-[4-(3-chloro-4-fluoroanilino)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]methanesulfonamide

C19H14ClFN6O2S — CID 137370841

IUPACN-[5-[4-(3-chloro-4-fluoroanilino)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cncc(-c2ccc3ncnc(Nc4ccc(F)c(Cl)c4)c3n2)c1
InChIInChI=1S/C19H14ClFN6O2S/c1-30(28,29)27-13-6-11(8-22-9-13)16-4-5-17-18(26-16)19(24-10-23-17)25-12-2-3-15(21)14(20)7-12/h2-10,27H,1H3,(H,23,24,25)
InChIKeySTFUUEGKLYKNEL-UHFFFAOYSA-N
MW444.88 g/mol
LogP3.99
Rot. Bonds5

About N-[5-[4-(3-chloro-4-fluoroanilino)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]methanesulfonamide

N-[5-[4-(3-chloro-4-fluoroanilino)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]methanesulfonamide (PubChem CID 137370841) has the molecular formula C19H14ClFN6O2S and a molecular weight of 444.88 g/mol. Its IUPAC name is N-[5-[4-(3-chloro-4-fluoroanilino)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-[4-(3-chloro-4-fluoroanilino)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]methanesulfonamide
PubChem CID137370841
Molecular FormulaC19H14ClFN6O2S
Molecular Weight444.88 g/mol
Exact Mass444.06
IUPAC NameN-[5-[4-(3-chloro-4-fluoroanilino)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cncc(-c2ccc3ncnc(Nc4ccc(F)c(Cl)c4)c3n2)c1
InChIInChI=1S/C19H14ClFN6O2S/c1-30(28,29)27-13-6-11(8-22-9-13)16-4-5-17-18(26-16)19(24-10-23-17)25-12-2-3-15(21)14(20)7-12/h2-10,27H,1H3,(H,23,24,25)
InChIKeySTFUUEGKLYKNEL-UHFFFAOYSA-N
XLogP3.99
TPSA109.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.88
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[5-[4-(3-chloro-4-fluoroanilino)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]methanesulfonamide 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-[5-[8-(3-chloro-4-fluoroanilino)-7-cyano-1,5-naphthyridin-2-yl]-3-pyridinyl]-2-(dimethylamino)ethanesulfonamide
CID 137371064
1-[4-(3-chloro-4-fluoroanilino)-6-[5-(methanesulfonamido)-3-pyridinyl]quinazolin-3-ium-3-yl]-N-[5-[4-(3-ethynylanilino)quinazolin-6-yl]-3-pyridinyl]methanesulfonamide
CID 155713828
N-[2-chloro-5-[8-(3-chloro-4-fluoroanilino)-7-cyano-1,5-naphthyridin-2-yl]-3-pyridinyl]methanesulfonamide
CID 137370797
N-(3-chloro-4-fluorophenyl)-6-methylpyrimido[5,4-d]pyrimidin-4-amine
CID 19709246
methyl 2-[[4-(3-chloro-4-fluoroanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]propanoate
CID 18967297
N-[5-[5-[(6-bromoquinazolin-4-yl)amino]-3-pyridinyl]-3-pyridinyl]methanesulfonamide
CID 121416216
2-[[4-(3-chloro-4-fluoroanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]propane-1,3-diol
CID 19708999
3-[4-[[4-(3-chloro-4-fluoroanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]phenyl]-1,1-dimethylurea
CID 18967295
1-amino-3-[[4-(3-chloro-4-fluoroanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]propan-2-ol
CID 19709330
N-[5-[8-(3-chloro-4-fluoroanilino)-1,5-naphthyridin-2-yl]-2-methyl-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 137371140
1-[4-[4-[[4-(3-chloro-4-fluoroanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]cyclohexanecarbonyl]piperazin-1-yl]ethanone
CID 18967377
6-chloro-N-(5-fluoro-3-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine
CID 166539944

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(3-chloro-4-fluoroanilino)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]methanesulfonamide?
The IUPAC name of N-[5-[4-(3-chloro-4-fluoroanilino)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]methanesulfonamide (CID 137370841) is N-[5-[4-(3-chloro-4-fluoroanilino)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[5-[4-(3-chloro-4-fluoroanilino)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[5-[4-(3-chloro-4-fluoroanilino)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]methanesulfonamide is CS(=O)(=O)Nc1cncc(-c2ccc3ncnc(Nc4ccc(F)c(Cl)c4)c3n2)c1.
What is the InChIKey of N-[5-[4-(3-chloro-4-fluoroanilino)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]methanesulfonamide?
The InChIKey is STFUUEGKLYKNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN6O2S/c1-30(28,29)27-13-6-11(8-22-9-13)16-4-5-17-18(26-16)19(24-10-23-17)25-12-2-3-15(21)14(20)7-12/h2-10,27H,1H3,(H,23,24,25).
What are the key properties of N-[5-[4-(3-chloro-4-fluoroanilino)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]methanesulfonamide?
N-[5-[4-(3-chloro-4-fluoroanilino)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]methanesulfonamide has a molecular weight of 444.88 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(3-chloro-4-fluoroanilino)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 137370841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).