6-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-1H-indazol-3-amine

C26H28Cl2N6O2 — CID 145192787

IUPAC6-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-1H-indazol-3-amine
SMILESCOc1cc(OC)c(Cl)c(-c2ccc3c(Nc4ccc(CN5CCN(C)CC5)cn4)n[nH]c3c2)c1Cl
InChIInChI=1S/C26H28Cl2N6O2/c1-33-8-10-34(11-9-33)15-16-4-7-22(29-14-16)30-26-18-6-5-17(12-19(18)31-32-26)23-24(27)20(35-2)13-21(36-3)25(23)28/h4-7,12-14H,8-11,15H2,1-3H3,(H2,29,30,31,32)
InChIKeyOMCRSOBCMKFQFJ-UHFFFAOYSA-N
MW527.46 g/mol
LogP5.44
Rot. Bonds7

About 6-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-1H-indazol-3-amine

6-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-1H-indazol-3-amine (PubChem CID 145192787) has the molecular formula C26H28Cl2N6O2 and a molecular weight of 527.46 g/mol. Its IUPAC name is 6-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-1H-indazol-3-amine.

Molecular Properties

Compound Name6-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-1H-indazol-3-amine
PubChem CID145192787
Molecular FormulaC26H28Cl2N6O2
Molecular Weight527.46 g/mol
Exact Mass526.17
IUPAC Name6-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-1H-indazol-3-amine
SMILESCOc1cc(OC)c(Cl)c(-c2ccc3c(Nc4ccc(CN5CCN(C)CC5)cn4)n[nH]c3c2)c1Cl
InChIInChI=1S/C26H28Cl2N6O2/c1-33-8-10-34(11-9-33)15-16-4-7-22(29-14-16)30-26-18-6-5-17(12-19(18)31-32-26)23-24(27)20(35-2)13-21(36-3)25(23)28/h4-7,12-14H,8-11,15H2,1-3H3,(H2,29,30,31,32)
InChIKeyOMCRSOBCMKFQFJ-UHFFFAOYSA-N
XLogP5.44
TPSA78.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.46
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-1H-indazol-3-amine 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

N-[5-[2-(2,6-dichloro-3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-7-(4-ethylpiperazin-1-yl)quinazolin-4-amine
CID 127045946
N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-7-(1-methylpiperidin-4-yl)quinazolin-4-amine
CID 127046610
2-[5-[2-(2,6-dichloro-3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-6-[(4-methylpiperazin-1-yl)methyl]-1H-benzimidazole
CID 168271198
US10562900, Example 85
CID 118893324
N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-6-(4-ethylpiperazin-1-yl)isoquinolin-1-amine
CID 127046449
5-chloro-N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]quinazolin-4-amine
CID 127047298
6-(2-chloro-3,5-dimethoxyphenyl)-N-(4-(4-isopropylpiperazin-1-yl) phenyl)-[1,2,4]triazolo[4',3':1,6] pyrido[2,3-d]pyridimin-2-amine
CID 142413810
7-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[4-(4-ethylpiperazin-1-yl)phenyl]-2,4,5,11,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaen-12-amine
CID 142413824
6-(2-chloro-3,5-dimethoxyphenyl)-N-(4-(3,3,4-trimethylpiperazin-1-yl)phenyl)-[1,2,4]triazolo[4',3':1,6] pyrido[2,3-d]pyridimin-2-amine
CID 142413835
6-(2-chloro-3,5-dimethoxyphenyl)-N-(4-(4-ethylpiperazin-1-yl)phe-nyl)-[1,2,4]triazolo[4',3':1,6]pyrido [2,3-d]pyrimidin-2-amine
CID 142413856
6-(2-chloro-3,5-dimethoxyphenyl)-N-(4-(4-methylpiperazin-1-yl) phenyl)-[1,2,4]triazolo[4',3':1,6]pyrido [2,3-d]pyridimin-2-amine
CID 142413868
(R)-6-(2,6-dichloro-3,5-dimethoxyphe-nyl)-N-(4-(hexahydropyrrolo[1,2-a]pyr-azin-2(1H)-yl)phenyl)-[1,2,4]triazolo[4', 3':1,6]pyrido[2,3-d]pyrimidin-2-amine
CID 152296402

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-1H-indazol-3-amine?
The IUPAC name of 6-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-1H-indazol-3-amine (CID 145192787) is 6-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-1H-indazol-3-amine.
What is the SMILES notation for 6-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-1H-indazol-3-amine?
The canonical SMILES for 6-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-1H-indazol-3-amine is COc1cc(OC)c(Cl)c(-c2ccc3c(Nc4ccc(CN5CCN(C)CC5)cn4)n[nH]c3c2)c1Cl.
What is the InChIKey of 6-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-1H-indazol-3-amine?
The InChIKey is OMCRSOBCMKFQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28Cl2N6O2/c1-33-8-10-34(11-9-33)15-16-4-7-22(29-14-16)30-26-18-6-5-17(12-19(18)31-32-26)23-24(27)20(35-2)13-21(36-3)25(23)28/h4-7,12-14H,8-11,15H2,1-3H3,(H2,29,30,31,32).
What are the key properties of 6-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-1H-indazol-3-amine?
6-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-1H-indazol-3-amine has a molecular weight of 527.46 g/mol, XLogP of 5.44, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-1H-indazol-3-amine is sourced from PubChem (CID 145192787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).