4-[6-(3,5-dimethylpiperazin-1-yl)-3-pyridinyl]-5-methyl-2-(7-methyl-2H-indazol-3-yl)-1,3-thiazole

C23H26N6S — CID 23590775

IUPAC4-[6-(3,5-dimethylpiperazin-1-yl)-3-pyridinyl]-5-methyl-2-(7-methyl-2H-indazol-3-yl)-1,3-thiazole
SMILESCc1sc(-c2[nH]nc3c(C)cccc23)nc1-c1ccc(N2CC(C)NC(C)C2)nc1
InChIInChI=1S/C23H26N6S/c1-13-6-5-7-18-20(13)27-28-22(18)23-26-21(16(4)30-23)17-8-9-19(24-10-17)29-11-14(2)25-15(3)12-29/h5-10,14-15,25H,11-12H2,1-4H3,(H,27,28)
InChIKeyVZSBZTDJMBBLPW-UHFFFAOYSA-N
MW418.57 g/mol
LogP4.55
Rot. Bonds3

About 4-[6-(3,5-dimethylpiperazin-1-yl)-3-pyridinyl]-5-methyl-2-(7-methyl-2H-indazol-3-yl)-1,3-thiazole

4-[6-(3,5-dimethylpiperazin-1-yl)-3-pyridinyl]-5-methyl-2-(7-methyl-2H-indazol-3-yl)-1,3-thiazole (PubChem CID 23590775) has the molecular formula C23H26N6S and a molecular weight of 418.57 g/mol. Its IUPAC name is 4-[6-(3,5-dimethylpiperazin-1-yl)-3-pyridinyl]-5-methyl-2-(7-methyl-2H-indazol-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-[6-(3,5-dimethylpiperazin-1-yl)-3-pyridinyl]-5-methyl-2-(7-methyl-2H-indazol-3-yl)-1,3-thiazole
PubChem CID23590775
Molecular FormulaC23H26N6S
Molecular Weight418.57 g/mol
Exact Mass418.19
IUPAC Name4-[6-(3,5-dimethylpiperazin-1-yl)-3-pyridinyl]-5-methyl-2-(7-methyl-2H-indazol-3-yl)-1,3-thiazole
SMILESCc1sc(-c2[nH]nc3c(C)cccc23)nc1-c1ccc(N2CC(C)NC(C)C2)nc1
InChIInChI=1S/C23H26N6S/c1-13-6-5-7-18-20(13)27-28-22(18)23-26-21(16(4)30-23)17-8-9-19(24-10-17)29-11-14(2)25-15(3)12-29/h5-10,14-15,25H,11-12H2,1-4H3,(H,27,28)
InChIKeyVZSBZTDJMBBLPW-UHFFFAOYSA-N
XLogP4.55
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.57
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[6-(3,5-dimethylpiperazin-1-yl)-3-pyridinyl]-5-methyl-2-(7-methyl-2H-indazol-3-yl)-1,3-thiazole with MolForge

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Related Compounds

1-((1H-pyrazol-4-yl)methyl)-4-methyl-5-((4-((6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)methyl)-1H-indole-2-carbonitrile
CID 91667931
5-[3-[6-(propan-2-ylamino)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-thiadiazol-2-amine
CID 90256619
Ihmt-trk-284
CID 156760472
5-[3-(Quinolin-3-Yl)-2h-Indazol-5-Yl]-1,3-Thiazol-2-Amine
CID 87057584
CDK inhibitor 4.35
CID 138105941
6-N-(2-anilinoethyl)-4-N-(1H-indol-5-yl)-6-N-pyrrol-1-ylthieno[3,2-d]pyrimidine-4,6-diamine
CID 44316765
5-(6-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)pyridin-3-yl)-1H-indazole
CID 46890954
N-(4-piperazin-1-yl-2-pyridinyl)-5-[5-(1H-pyrazol-4-yl)-3-pyridinyl]-1,3-thiazol-2-amine
CID 15979518
5-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-(4-piperazin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine
CID 15979519
(1H-Indazol-5-yl)-(6-phenyl-thieno[3,2-d]pyrimidin-4-yl)-amine
CID 18382857
(S)-N1-(5-(1H-indazol-6-yl)thiazol-2-yl)-3-(4-(trifluoromethyl)phenyl)propane-1,2-diamine
CID 23654255
2-(1H-indazol-3-ylamino)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 24968460

Frequently Asked Questions

What is the IUPAC name of 4-[6-(3,5-dimethylpiperazin-1-yl)-3-pyridinyl]-5-methyl-2-(7-methyl-2H-indazol-3-yl)-1,3-thiazole?
The IUPAC name of 4-[6-(3,5-dimethylpiperazin-1-yl)-3-pyridinyl]-5-methyl-2-(7-methyl-2H-indazol-3-yl)-1,3-thiazole (CID 23590775) is 4-[6-(3,5-dimethylpiperazin-1-yl)-3-pyridinyl]-5-methyl-2-(7-methyl-2H-indazol-3-yl)-1,3-thiazole.
What is the SMILES notation for 4-[6-(3,5-dimethylpiperazin-1-yl)-3-pyridinyl]-5-methyl-2-(7-methyl-2H-indazol-3-yl)-1,3-thiazole?
The canonical SMILES for 4-[6-(3,5-dimethylpiperazin-1-yl)-3-pyridinyl]-5-methyl-2-(7-methyl-2H-indazol-3-yl)-1,3-thiazole is Cc1sc(-c2[nH]nc3c(C)cccc23)nc1-c1ccc(N2CC(C)NC(C)C2)nc1.
What is the InChIKey of 4-[6-(3,5-dimethylpiperazin-1-yl)-3-pyridinyl]-5-methyl-2-(7-methyl-2H-indazol-3-yl)-1,3-thiazole?
The InChIKey is VZSBZTDJMBBLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6S/c1-13-6-5-7-18-20(13)27-28-22(18)23-26-21(16(4)30-23)17-8-9-19(24-10-17)29-11-14(2)25-15(3)12-29/h5-10,14-15,25H,11-12H2,1-4H3,(H,27,28).
What are the key properties of 4-[6-(3,5-dimethylpiperazin-1-yl)-3-pyridinyl]-5-methyl-2-(7-methyl-2H-indazol-3-yl)-1,3-thiazole?
4-[6-(3,5-dimethylpiperazin-1-yl)-3-pyridinyl]-5-methyl-2-(7-methyl-2H-indazol-3-yl)-1,3-thiazole has a molecular weight of 418.57 g/mol, XLogP of 4.55, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(3,5-dimethylpiperazin-1-yl)-3-pyridinyl]-5-methyl-2-(7-methyl-2H-indazol-3-yl)-1,3-thiazole is sourced from PubChem (CID 23590775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).