5-[2-(2,4-difluorophenyl)sulfonylethenyl]-2-N-(1H-indazol-5-yl)-4-N-methylpyrimidine-2,4-diamine

C20H16F2N6O2S — CID 121301806

IUPAC5-[2-(2,4-difluorophenyl)sulfonylethenyl]-2-N-(1H-indazol-5-yl)-4-N-methylpyrimidine-2,4-diamine
SMILESCNc1nc(Nc2ccc3[nH]ncc3c2)ncc1C=CS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C20H16F2N6O2S/c1-23-19-12(6-7-31(29,30)18-5-2-14(21)9-16(18)22)10-24-20(27-19)26-15-3-4-17-13(8-15)11-25-28-17/h2-11H,1H3,(H,25,28)(H2,23,24,26,27)
InChIKeyHRSQCRSVRAIKMW-UHFFFAOYSA-N
MW442.45 g/mol
LogP3.86
Rot. Bonds6

About 5-[2-(2,4-difluorophenyl)sulfonylethenyl]-2-N-(1H-indazol-5-yl)-4-N-methylpyrimidine-2,4-diamine

5-[2-(2,4-difluorophenyl)sulfonylethenyl]-2-N-(1H-indazol-5-yl)-4-N-methylpyrimidine-2,4-diamine (PubChem CID 121301806) has the molecular formula C20H16F2N6O2S and a molecular weight of 442.45 g/mol. Its IUPAC name is 5-[2-(2,4-difluorophenyl)sulfonylethenyl]-2-N-(1H-indazol-5-yl)-4-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[2-(2,4-difluorophenyl)sulfonylethenyl]-2-N-(1H-indazol-5-yl)-4-N-methylpyrimidine-2,4-diamine
PubChem CID121301806
Molecular FormulaC20H16F2N6O2S
Molecular Weight442.45 g/mol
Exact Mass442.10
IUPAC Name5-[2-(2,4-difluorophenyl)sulfonylethenyl]-2-N-(1H-indazol-5-yl)-4-N-methylpyrimidine-2,4-diamine
SMILESCNc1nc(Nc2ccc3[nH]ncc3c2)ncc1C=CS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C20H16F2N6O2S/c1-23-19-12(6-7-31(29,30)18-5-2-14(21)9-16(18)22)10-24-20(27-19)26-15-3-4-17-13(8-15)11-25-28-17/h2-11H,1H3,(H,25,28)(H2,23,24,26,27)
InChIKeyHRSQCRSVRAIKMW-UHFFFAOYSA-N
XLogP3.86
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.45
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

5-[2-(2,4-difluorophenyl)sulfonylethenyl]-4-N-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine
CID 121301818
5-[(E)-2-(2,4-difluorophenyl)sulfonylethenyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 90467082
5-chloro-2-N-(1H-indazol-5-yl)-4-N-methylpyrimidine-2,4-diamine
CID 166380400
N-(4-fluorophenyl)-1H-indazol-5-amine
CID 91229030
2-bromo-4-fluoro-N-(1H-indazol-5-yl)benzenesulfonamide
CID 61061401
1-[7-acetyl-2-(2,4-difluoroanilino)-4-(1H-indazol-5-ylamino)quinazolin-6-yl]ethanone
CID 10140178
5-(5-fluoro-1H-indazol-3-yl)-4-N-methyl-2-N-(3-methylsulfonylphenyl)pyrimidine-2,4-diamine
CID 71224575
N-(2-chloro-5-fluoropyrimidin-4-yl)-1H-indazol-5-amine
CID 22060782
disodium;2-(1H-indazol-5-ylamino)-4-oxidopyrimidine-5-carboxylate
CID 140677690
6-(2,4-difluorophenyl)sulfonyl-8-methyl-2-[(2-methyl-1H-indol-5-yl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 127042195
N-(6-ethyl-5-fluoropyrimidin-4-yl)-1H-indazol-5-amine
CID 133416322
N-(2,6-difluoro-4-nitrophenyl)-1H-indazol-5-amine
CID 166232105

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,4-difluorophenyl)sulfonylethenyl]-2-N-(1H-indazol-5-yl)-4-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 5-[2-(2,4-difluorophenyl)sulfonylethenyl]-2-N-(1H-indazol-5-yl)-4-N-methylpyrimidine-2,4-diamine (CID 121301806) is 5-[2-(2,4-difluorophenyl)sulfonylethenyl]-2-N-(1H-indazol-5-yl)-4-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-[2-(2,4-difluorophenyl)sulfonylethenyl]-2-N-(1H-indazol-5-yl)-4-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 5-[2-(2,4-difluorophenyl)sulfonylethenyl]-2-N-(1H-indazol-5-yl)-4-N-methylpyrimidine-2,4-diamine is CNc1nc(Nc2ccc3[nH]ncc3c2)ncc1C=CS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of 5-[2-(2,4-difluorophenyl)sulfonylethenyl]-2-N-(1H-indazol-5-yl)-4-N-methylpyrimidine-2,4-diamine?
The InChIKey is HRSQCRSVRAIKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N6O2S/c1-23-19-12(6-7-31(29,30)18-5-2-14(21)9-16(18)22)10-24-20(27-19)26-15-3-4-17-13(8-15)11-25-28-17/h2-11H,1H3,(H,25,28)(H2,23,24,26,27).
What are the key properties of 5-[2-(2,4-difluorophenyl)sulfonylethenyl]-2-N-(1H-indazol-5-yl)-4-N-methylpyrimidine-2,4-diamine?
5-[2-(2,4-difluorophenyl)sulfonylethenyl]-2-N-(1H-indazol-5-yl)-4-N-methylpyrimidine-2,4-diamine has a molecular weight of 442.45 g/mol, XLogP of 3.86, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,4-difluorophenyl)sulfonylethenyl]-2-N-(1H-indazol-5-yl)-4-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 121301806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).