N-[2-[[5-methyl-2-[[3-(4-methylpiperazin-1-yl)-1H-indazol-6-yl]amino]pyrimidin-4-yl]amino]phenyl]methanesulfonamide

C24H29N9O2S — CID 175544787

IUPACN-[2-[[5-methyl-2-[[3-(4-methylpiperazin-1-yl)-1H-indazol-6-yl]amino]pyrimidin-4-yl]amino]phenyl]methanesulfonamide
SMILESCc1cnc(Nc2ccc3c(N4CCN(C)CC4)n[nH]c3c2)nc1Nc1ccccc1NS(C)(=O)=O
InChIInChI=1S/C24H29N9O2S/c1-16-15-25-24(28-22(16)27-19-6-4-5-7-20(19)31-36(3,34)35)26-17-8-9-18-21(14-17)29-30-23(18)33-12-10-32(2)11-13-33/h4-9,14-15,31H,10-13H2,1-3H3,(H,29,30)(H2,25,26,27,28)
InChIKeyIBXRRIFUMNLNQV-UHFFFAOYSA-N
MW507.62 g/mol
LogP3.27
Rot. Bonds7

About N-[2-[[5-methyl-2-[[3-(4-methylpiperazin-1-yl)-1H-indazol-6-yl]amino]pyrimidin-4-yl]amino]phenyl]methanesulfonamide

N-[2-[[5-methyl-2-[[3-(4-methylpiperazin-1-yl)-1H-indazol-6-yl]amino]pyrimidin-4-yl]amino]phenyl]methanesulfonamide (PubChem CID 175544787) has the molecular formula C24H29N9O2S and a molecular weight of 507.62 g/mol. Its IUPAC name is N-[2-[[5-methyl-2-[[3-(4-methylpiperazin-1-yl)-1H-indazol-6-yl]amino]pyrimidin-4-yl]amino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[[5-methyl-2-[[3-(4-methylpiperazin-1-yl)-1H-indazol-6-yl]amino]pyrimidin-4-yl]amino]phenyl]methanesulfonamide
PubChem CID175544787
Molecular FormulaC24H29N9O2S
Molecular Weight507.62 g/mol
Exact Mass507.22
IUPAC NameN-[2-[[5-methyl-2-[[3-(4-methylpiperazin-1-yl)-1H-indazol-6-yl]amino]pyrimidin-4-yl]amino]phenyl]methanesulfonamide
SMILESCc1cnc(Nc2ccc3c(N4CCN(C)CC4)n[nH]c3c2)nc1Nc1ccccc1NS(C)(=O)=O
InChIInChI=1S/C24H29N9O2S/c1-16-15-25-24(28-22(16)27-19-6-4-5-7-20(19)31-36(3,34)35)26-17-8-9-18-21(14-17)29-30-23(18)33-12-10-32(2)11-13-33/h4-9,14-15,31H,10-13H2,1-3H3,(H,29,30)(H2,25,26,27,28)
InChIKeyIBXRRIFUMNLNQV-UHFFFAOYSA-N
XLogP3.27
TPSA131.17 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.62
LogP ≤ 53.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze N-[2-[[5-methyl-2-[[3-(4-methylpiperazin-1-yl)-1H-indazol-6-yl]amino]pyrimidin-4-yl]amino]phenyl]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

5-bromo-4-N-(2-dimethoxyphosphanylphenyl)-2-N-[3-(4-methylpiperazin-1-yl)-1H-indazol-6-yl]pyrimidine-2,4-diamine
CID 162715782
6-[[5-bromo-4-[2-[(sulfinatoamino)methyl]anilino]pyrimidin-2-yl]amino]-3-(4-methylpiperazin-1-yl)-1H-indazole
CID 162715672
3-(4-methylpiperazin-1-yl)-6-[[4-[2-[(sulfinoamino)methyl]anilino]-5-(2-trimethylsilylethyl)pyrimidin-2-yl]amino]-1H-indazole
CID 162715739
6-[[5-fluoro-4-[2-[(sulfinatoamino)methyl]anilino]pyrimidin-2-yl]amino]-3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1H-indazole
CID 175544714
N-[5-chloro-2-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]cyclopropanesulfonamide
CID 140802738
N-[2-[[2-[(3-methyl-2H-indazol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]methanesulfonamide
CID 175544747
N-methyl-2-[[5-methyl-2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]pyrimidin-4-yl]amino]benzamide
CID 25122370
N-[3-ethyl-4-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]cyclopropanesulfonamide
CID 67207259
2-N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-5-methyl-4-N-(2-pyridin-2-yl-3-pyridinyl)pyrimidine-2,4-diamine
CID 122425999
N-[2-[[5-fluoro-2-(4-methyl-3-nitrosoanilino)pyrimidin-4-yl]amino]phenyl]methanesulfonamide
CID 88956661
N-[2-[[2-(2H-benzotriazol-5-ylamino)-5-fluoropyrimidin-4-yl]amino]phenyl]methanesulfonamide
CID 58236446
ethyl 6-[[5-chloro-4-[2-(methanesulfonamido)anilino]pyrimidin-2-yl]amino]-2-methyl-1H-indole-3-carboxylate
CID 154640741

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-methyl-2-[[3-(4-methylpiperazin-1-yl)-1H-indazol-6-yl]amino]pyrimidin-4-yl]amino]phenyl]methanesulfonamide?
The IUPAC name of N-[2-[[5-methyl-2-[[3-(4-methylpiperazin-1-yl)-1H-indazol-6-yl]amino]pyrimidin-4-yl]amino]phenyl]methanesulfonamide (CID 175544787) is N-[2-[[5-methyl-2-[[3-(4-methylpiperazin-1-yl)-1H-indazol-6-yl]amino]pyrimidin-4-yl]amino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-[[5-methyl-2-[[3-(4-methylpiperazin-1-yl)-1H-indazol-6-yl]amino]pyrimidin-4-yl]amino]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-[[5-methyl-2-[[3-(4-methylpiperazin-1-yl)-1H-indazol-6-yl]amino]pyrimidin-4-yl]amino]phenyl]methanesulfonamide is Cc1cnc(Nc2ccc3c(N4CCN(C)CC4)n[nH]c3c2)nc1Nc1ccccc1NS(C)(=O)=O.
What is the InChIKey of N-[2-[[5-methyl-2-[[3-(4-methylpiperazin-1-yl)-1H-indazol-6-yl]amino]pyrimidin-4-yl]amino]phenyl]methanesulfonamide?
The InChIKey is IBXRRIFUMNLNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N9O2S/c1-16-15-25-24(28-22(16)27-19-6-4-5-7-20(19)31-36(3,34)35)26-17-8-9-18-21(14-17)29-30-23(18)33-12-10-32(2)11-13-33/h4-9,14-15,31H,10-13H2,1-3H3,(H,29,30)(H2,25,26,27,28).
What are the key properties of N-[2-[[5-methyl-2-[[3-(4-methylpiperazin-1-yl)-1H-indazol-6-yl]amino]pyrimidin-4-yl]amino]phenyl]methanesulfonamide?
N-[2-[[5-methyl-2-[[3-(4-methylpiperazin-1-yl)-1H-indazol-6-yl]amino]pyrimidin-4-yl]amino]phenyl]methanesulfonamide has a molecular weight of 507.62 g/mol, XLogP of 3.27, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-methyl-2-[[3-(4-methylpiperazin-1-yl)-1H-indazol-6-yl]amino]pyrimidin-4-yl]amino]phenyl]methanesulfonamide is sourced from PubChem (CID 175544787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).