N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]-5-(3,5-dimethylpiperazin-1-yl)pyridine-2-carboxamide

C27H28Cl2N6O3 — CID 145019752

IUPACN-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]-5-(3,5-dimethylpiperazin-1-yl)pyridine-2-carboxamide
SMILESCOc1cc(OC)c(Cl)c(-c2ccc3c(NC(=O)c4ccc(N5CC(C)NC(C)C5)cn4)n[nH]c3c2)c1Cl
InChIInChI=1S/C27H28Cl2N6O3/c1-14-12-35(13-15(2)31-14)17-6-8-19(30-11-17)27(36)32-26-18-7-5-16(9-20(18)33-34-26)23-24(28)21(37-3)10-22(38-4)25(23)29/h5-11,14-15,31H,12-13H2,1-4H3,(H2,32,33,34,36)
InChIKeyABNGULSYAJOJNF-UHFFFAOYSA-N
MW555.47 g/mol
LogP5.39
Rot. Bonds6

About N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]-5-(3,5-dimethylpiperazin-1-yl)pyridine-2-carboxamide

N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]-5-(3,5-dimethylpiperazin-1-yl)pyridine-2-carboxamide (PubChem CID 145019752) has the molecular formula C27H28Cl2N6O3 and a molecular weight of 555.47 g/mol. Its IUPAC name is N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]-5-(3,5-dimethylpiperazin-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]-5-(3,5-dimethylpiperazin-1-yl)pyridine-2-carboxamide
PubChem CID145019752
Molecular FormulaC27H28Cl2N6O3
Molecular Weight555.47 g/mol
Exact Mass554.16
IUPAC NameN-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]-5-(3,5-dimethylpiperazin-1-yl)pyridine-2-carboxamide
SMILESCOc1cc(OC)c(Cl)c(-c2ccc3c(NC(=O)c4ccc(N5CC(C)NC(C)C5)cn4)n[nH]c3c2)c1Cl
InChIInChI=1S/C27H28Cl2N6O3/c1-14-12-35(13-15(2)31-14)17-6-8-19(30-11-17)27(36)32-26-18-7-5-16(9-20(18)33-34-26)23-24(28)21(37-3)10-22(38-4)25(23)29/h5-11,14-15,31H,12-13H2,1-4H3,(H2,32,33,34,36)
InChIKeyABNGULSYAJOJNF-UHFFFAOYSA-N
XLogP5.39
TPSA104.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.47
LogP ≤ 55.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]-5-(3,5-dimethylpiperazin-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]-5-(3,5-dimethylpiperazin-1-yl)pyridine-2-carboxamide (CID 145019752) is N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]-5-(3,5-dimethylpiperazin-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]-5-(3,5-dimethylpiperazin-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]-5-(3,5-dimethylpiperazin-1-yl)pyridine-2-carboxamide is COc1cc(OC)c(Cl)c(-c2ccc3c(NC(=O)c4ccc(N5CC(C)NC(C)C5)cn4)n[nH]c3c2)c1Cl.
What is the InChIKey of N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]-5-(3,5-dimethylpiperazin-1-yl)pyridine-2-carboxamide?
The InChIKey is ABNGULSYAJOJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28Cl2N6O3/c1-14-12-35(13-15(2)31-14)17-6-8-19(30-11-17)27(36)32-26-18-7-5-16(9-20(18)33-34-26)23-24(28)21(37-3)10-22(38-4)25(23)29/h5-11,14-15,31H,12-13H2,1-4H3,(H2,32,33,34,36).
What are the key properties of N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]-5-(3,5-dimethylpiperazin-1-yl)pyridine-2-carboxamide?
N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]-5-(3,5-dimethylpiperazin-1-yl)pyridine-2-carboxamide has a molecular weight of 555.47 g/mol, XLogP of 5.39, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]-5-(3,5-dimethylpiperazin-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 145019752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).