6-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-3-amine

C25H27Cl2N7O2 — CID 145192788

IUPAC6-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-3-amine
SMILESCOc1cc(OC)c(Cl)c(-c2ccc3c(Nc4ccnc(N5C[C@@H](C)N[C@@H](C)C5)n4)n[nH]c3c2)c1Cl
InChIInChI=1S/C25H27Cl2N7O2/c1-13-11-34(12-14(2)29-13)25-28-8-7-20(31-25)30-24-16-6-5-15(9-17(16)32-33-24)21-22(26)18(35-3)10-19(36-4)23(21)27/h5-10,13-14,29H,11-12H2,1-4H3,(H2,28,30,31,32,33)/t13-,14+
InChIKeyLIXRWLRJIQFLNJ-OKILXGFUSA-N
MW528.44 g/mol
LogP5.27
Rot. Bonds6

About 6-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-3-amine

6-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-3-amine (PubChem CID 145192788) has the molecular formula C25H27Cl2N7O2 and a molecular weight of 528.44 g/mol. Its IUPAC name is 6-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-3-amine.

Molecular Properties

Compound Name6-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-3-amine
PubChem CID145192788
Molecular FormulaC25H27Cl2N7O2
Molecular Weight528.44 g/mol
Exact Mass527.16
IUPAC Name6-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-3-amine
SMILESCOc1cc(OC)c(Cl)c(-c2ccc3c(Nc4ccnc(N5C[C@@H](C)N[C@@H](C)C5)n4)n[nH]c3c2)c1Cl
InChIInChI=1S/C25H27Cl2N7O2/c1-13-11-34(12-14(2)29-13)25-28-8-7-20(31-25)30-24-16-6-5-15(9-17(16)32-33-24)21-22(26)18(35-3)10-19(36-4)23(21)27/h5-10,13-14,29H,11-12H2,1-4H3,(H2,28,30,31,32,33)/t13-,14+
InChIKeyLIXRWLRJIQFLNJ-OKILXGFUSA-N
XLogP5.27
TPSA100.22 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.44
LogP ≤ 55.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 6-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyrimidin-4-yl]-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

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-3-amine?
The IUPAC name of 6-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-3-amine (CID 145192788) is 6-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-3-amine.
What is the SMILES notation for 6-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-3-amine?
The canonical SMILES for 6-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-3-amine is COc1cc(OC)c(Cl)c(-c2ccc3c(Nc4ccnc(N5C[C@@H](C)N[C@@H](C)C5)n4)n[nH]c3c2)c1Cl.
What is the InChIKey of 6-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-3-amine?
The InChIKey is LIXRWLRJIQFLNJ-OKILXGFUSA-N. The full InChI is InChI=1S/C25H27Cl2N7O2/c1-13-11-34(12-14(2)29-13)25-28-8-7-20(31-25)30-24-16-6-5-15(9-17(16)32-33-24)21-22(26)18(35-3)10-19(36-4)23(21)27/h5-10,13-14,29H,11-12H2,1-4H3,(H2,28,30,31,32,33)/t13-,14+.
What are the key properties of 6-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-3-amine?
6-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-3-amine has a molecular weight of 528.44 g/mol, XLogP of 5.27, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-3-amine is sourced from PubChem (CID 145192788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).