4-N-(5,6-difluoro-1H-indazol-3-yl)-2-N-(3-methyl-5-methylsulfonylphenyl)pyrimidine-2,4-diamine

C19H16F2N6O2S — CID 53469647

IUPAC4-N-(5,6-difluoro-1H-indazol-3-yl)-2-N-(3-methyl-5-methylsulfonylphenyl)pyrimidine-2,4-diamine
SMILESCc1cc(Nc2nccc(Nc3n[nH]c4cc(F)c(F)cc34)n2)cc(S(C)(=O)=O)c1
InChIInChI=1S/C19H16F2N6O2S/c1-10-5-11(7-12(6-10)30(2,28)29)23-19-22-4-3-17(25-19)24-18-13-8-14(20)15(21)9-16(13)26-27-18/h3-9H,1-2H3,(H3,22,23,24,25,26,27)
InChIKeyQZQKDOAVPKHPRG-UHFFFAOYSA-N
MW430.44 g/mol
LogP3.83
Rot. Bonds5

About 4-N-(5,6-difluoro-1H-indazol-3-yl)-2-N-(3-methyl-5-methylsulfonylphenyl)pyrimidine-2,4-diamine

4-N-(5,6-difluoro-1H-indazol-3-yl)-2-N-(3-methyl-5-methylsulfonylphenyl)pyrimidine-2,4-diamine (PubChem CID 53469647) has the molecular formula C19H16F2N6O2S and a molecular weight of 430.44 g/mol. Its IUPAC name is 4-N-(5,6-difluoro-1H-indazol-3-yl)-2-N-(3-methyl-5-methylsulfonylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(5,6-difluoro-1H-indazol-3-yl)-2-N-(3-methyl-5-methylsulfonylphenyl)pyrimidine-2,4-diamine
PubChem CID53469647
Molecular FormulaC19H16F2N6O2S
Molecular Weight430.44 g/mol
Exact Mass430.10
IUPAC Name4-N-(5,6-difluoro-1H-indazol-3-yl)-2-N-(3-methyl-5-methylsulfonylphenyl)pyrimidine-2,4-diamine
SMILESCc1cc(Nc2nccc(Nc3n[nH]c4cc(F)c(F)cc34)n2)cc(S(C)(=O)=O)c1
InChIInChI=1S/C19H16F2N6O2S/c1-10-5-11(7-12(6-10)30(2,28)29)23-19-22-4-3-17(25-19)24-18-13-8-14(20)15(21)9-16(13)26-27-18/h3-9H,1-2H3,(H3,22,23,24,25,26,27)
InChIKeyQZQKDOAVPKHPRG-UHFFFAOYSA-N
XLogP3.83
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.44
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-N-(5,6-difluoro-1H-indazol-3-yl)-2-N-(3-methyl-5-methylsulfonylphenyl)pyrimidine-2,4-diamine 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

4-N-(5-fluoro-1H-indazol-3-yl)-2-N-(4-fluoro-3-methylsulfonylphenyl)pyrimidine-2,4-diamine
CID 71224884
4-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-N-(4-fluoro-3-methylsulfonylphenyl)pyrimidine-2,4-diamine
CID 53475872
4-N-ethyl-4-N-(5-fluoro-1H-indazol-3-yl)-2-N-(3-methyl-5-methylsulfonylphenyl)pyrimidine-2,4-diamine
CID 53467413
4-N-(5-fluoro-1H-indazol-3-yl)-2-N-(2-methoxy-5-methylsulfonylphenyl)pyrimidine-2,4-diamine
CID 71224801
3-[[4-[(4,5-dimethyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-N,N-dimethylbenzenesulfonamide
CID 53475873
4-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine
CID 71233489
N-[3-[[4-[(4,5-dimethyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]methanesulfonamide
CID 71225292
5-(5-fluoro-6-methyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-4-N-methyl-2-N-(3-methyl-5-methylsulfonylphenyl)pyrimidine-2,4-diamine
CID 67420758
4-N-(5,6-difluoro-1H-indazol-3-yl)-4-N-methyl-2-N-(4-methyl-3-methylsulfonylphenyl)pyrimidine-2,4-diamine
CID 53469844
2-[3-[[4-[(4,5-dimethyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]sulfonylethanol
CID 53477229
4-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-N-(2-methoxy-5-methylsulfonylphenyl)pyrimidine-2,4-diamine
CID 53475763
2-N-(3,5-dimethylphenyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112902638

Frequently Asked Questions

What is the IUPAC name of 4-N-(5,6-difluoro-1H-indazol-3-yl)-2-N-(3-methyl-5-methylsulfonylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(5,6-difluoro-1H-indazol-3-yl)-2-N-(3-methyl-5-methylsulfonylphenyl)pyrimidine-2,4-diamine (CID 53469647) is 4-N-(5,6-difluoro-1H-indazol-3-yl)-2-N-(3-methyl-5-methylsulfonylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(5,6-difluoro-1H-indazol-3-yl)-2-N-(3-methyl-5-methylsulfonylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(5,6-difluoro-1H-indazol-3-yl)-2-N-(3-methyl-5-methylsulfonylphenyl)pyrimidine-2,4-diamine is Cc1cc(Nc2nccc(Nc3n[nH]c4cc(F)c(F)cc34)n2)cc(S(C)(=O)=O)c1.
What is the InChIKey of 4-N-(5,6-difluoro-1H-indazol-3-yl)-2-N-(3-methyl-5-methylsulfonylphenyl)pyrimidine-2,4-diamine?
The InChIKey is QZQKDOAVPKHPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N6O2S/c1-10-5-11(7-12(6-10)30(2,28)29)23-19-22-4-3-17(25-19)24-18-13-8-14(20)15(21)9-16(13)26-27-18/h3-9H,1-2H3,(H3,22,23,24,25,26,27).
What are the key properties of 4-N-(5,6-difluoro-1H-indazol-3-yl)-2-N-(3-methyl-5-methylsulfonylphenyl)pyrimidine-2,4-diamine?
4-N-(5,6-difluoro-1H-indazol-3-yl)-2-N-(3-methyl-5-methylsulfonylphenyl)pyrimidine-2,4-diamine has a molecular weight of 430.44 g/mol, XLogP of 3.83, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5,6-difluoro-1H-indazol-3-yl)-2-N-(3-methyl-5-methylsulfonylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 53469647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).