N-[2-(2-chlorophenyl)-5-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazol-3-amine;sulfur dioxide

C23H24ClN7O2S — CID 158445633

IUPACN-[2-(2-chlorophenyl)-5-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazol-3-amine;sulfur dioxide
SMILESCc1c(Nc2n[nH]c3ccccc23)nc(-c2ccccc2Cl)nc1N1CCN(C)CC1.O=S=O
InChIInChI=1S/C23H24ClN7.O2S/c1-15-20(26-22-17-8-4-6-10-19(17)28-29-22)25-21(16-7-3-5-9-18(16)24)27-23(15)31-13-11-30(2)12-14-31;1-3-2/h3-10H,11-14H2,1-2H3,(H2,25,26,27,28,29);
InChIKeyHDIXLHVBBOHACO-UHFFFAOYSA-N
MW498.01 g/mol
LogP3.81
Rot. Bonds4

About N-[2-(2-chlorophenyl)-5-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazol-3-amine;sulfur dioxide

N-[2-(2-chlorophenyl)-5-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazol-3-amine;sulfur dioxide (PubChem CID 158445633) has the molecular formula C23H24ClN7O2S and a molecular weight of 498.01 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-5-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazol-3-amine;sulfur dioxide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-5-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazol-3-amine;sulfur dioxide
PubChem CID158445633
Molecular FormulaC23H24ClN7O2S
Molecular Weight498.01 g/mol
Exact Mass497.14
IUPAC NameN-[2-(2-chlorophenyl)-5-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazol-3-amine;sulfur dioxide
SMILESCc1c(Nc2n[nH]c3ccccc23)nc(-c2ccccc2Cl)nc1N1CCN(C)CC1.O=S=O
InChIInChI=1S/C23H24ClN7.O2S/c1-15-20(26-22-17-8-4-6-10-19(17)28-29-22)25-21(16-7-3-5-9-18(16)24)27-23(15)31-13-11-30(2)12-14-31;1-3-2/h3-10H,11-14H2,1-2H3,(H2,25,26,27,28,29);
InChIKeyHDIXLHVBBOHACO-UHFFFAOYSA-N
XLogP3.81
TPSA107.11 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.01
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-[[2-(2-chlorophenyl)-5-methyl-6-(sulfinoamino)pyrimidin-4-yl]amino]-1H-indazole
CID 66804943
N-[5-chloro-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazol-3-amine
CID 166128462
N-[2-(2-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine
CID 10270349
ethane;3-(4-methylpiperazin-1-yl)-1H-indazole
CID 54533851
2-(2-chlorophenyl)-N-(4-ethyl-5-methyl-4H-imidazol-2-yl)-5-methyl-6-piperazin-1-ylpyrimidin-4-amine
CID 142126982
2-[4-[(5-fluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]-N,N-dimethylbenzenesulfonamide;N-[5-methyl-6-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine
CID 158991819
6-chloro-5-[6-(1H-indazol-3-ylamino)-4,5-dimethyl-2-pyridinyl]-1,2-dihydroindazol-3-one
CID 58936281
2-(2-chlorophenyl)-4-pyrrolidin-1-ylquinazoline
CID 914453
N-[6-(1-methylpiperidin-4-yl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine
CID 20626488
N-[6-(4-methylpiperazin-1-yl)-2-(2-phenylethenyl)pyrimidin-4-yl]-1H-indazol-3-amine
CID 90754084
N-(4-chloro-5-methoxy-6-morpholin-4-ylpyrimidin-2-yl)-1H-indazol-3-amine
CID 166129433
4-[2-(1H-indazol-4-yl)-5-methyl-6-[(4-methylpiperazin-1-yl)methyl]pyrimidin-4-yl]morpholine
CID 71004484

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-5-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazol-3-amine;sulfur dioxide?
The IUPAC name of N-[2-(2-chlorophenyl)-5-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazol-3-amine;sulfur dioxide (CID 158445633) is N-[2-(2-chlorophenyl)-5-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazol-3-amine;sulfur dioxide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-5-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazol-3-amine;sulfur dioxide?
The canonical SMILES for N-[2-(2-chlorophenyl)-5-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazol-3-amine;sulfur dioxide is Cc1c(Nc2n[nH]c3ccccc23)nc(-c2ccccc2Cl)nc1N1CCN(C)CC1.O=S=O.
What is the InChIKey of N-[2-(2-chlorophenyl)-5-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazol-3-amine;sulfur dioxide?
The InChIKey is HDIXLHVBBOHACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN7.O2S/c1-15-20(26-22-17-8-4-6-10-19(17)28-29-22)25-21(16-7-3-5-9-18(16)24)27-23(15)31-13-11-30(2)12-14-31;1-3-2/h3-10H,11-14H2,1-2H3,(H2,25,26,27,28,29);.
What are the key properties of N-[2-(2-chlorophenyl)-5-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazol-3-amine;sulfur dioxide?
N-[2-(2-chlorophenyl)-5-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazol-3-amine;sulfur dioxide has a molecular weight of 498.01 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-5-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazol-3-amine;sulfur dioxide is sourced from PubChem (CID 158445633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).