2-[1-[[2,6-dichloro-4-(trifluoromethoxy)phenyl]methyl]indazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine

C25H17Cl2F3N6O2 — CID 71553701

IUPAC2-[1-[[2,6-dichloro-4-(trifluoromethoxy)phenyl]methyl]indazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine
SMILESCOc1cnc(-c2nn(Cc3c(Cl)cc(OC(F)(F)F)cc3Cl)c3ccccc23)nc1Nc1ccncc1
InChIInChI=1S/C25H17Cl2F3N6O2/c1-37-21-12-32-24(34-23(21)33-14-6-8-31-9-7-14)22-16-4-2-3-5-20(16)36(35-22)13-17-18(26)10-15(11-19(17)27)38-25(28,29)30/h2-12H,13H2,1H3,(H,31,32,33,34)
InChIKeyZTLBYWPUJKXMJM-UHFFFAOYSA-N
MW561.35 g/mol
LogP6.89
Rot. Bonds7

About 2-[1-[[2,6-dichloro-4-(trifluoromethoxy)phenyl]methyl]indazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine

2-[1-[[2,6-dichloro-4-(trifluoromethoxy)phenyl]methyl]indazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine (PubChem CID 71553701) has the molecular formula C25H17Cl2F3N6O2 and a molecular weight of 561.35 g/mol. Its IUPAC name is 2-[1-[[2,6-dichloro-4-(trifluoromethoxy)phenyl]methyl]indazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[1-[[2,6-dichloro-4-(trifluoromethoxy)phenyl]methyl]indazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine
PubChem CID71553701
Molecular FormulaC25H17Cl2F3N6O2
Molecular Weight561.35 g/mol
Exact Mass560.07
IUPAC Name2-[1-[[2,6-dichloro-4-(trifluoromethoxy)phenyl]methyl]indazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine
SMILESCOc1cnc(-c2nn(Cc3c(Cl)cc(OC(F)(F)F)cc3Cl)c3ccccc23)nc1Nc1ccncc1
InChIInChI=1S/C25H17Cl2F3N6O2/c1-37-21-12-32-24(34-23(21)33-14-6-8-31-9-7-14)22-16-4-2-3-5-20(16)36(35-22)13-17-18(26)10-15(11-19(17)27)38-25(28,29)30/h2-12H,13H2,1H3,(H,31,32,33,34)
InChIKeyZTLBYWPUJKXMJM-UHFFFAOYSA-N
XLogP6.89
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.35
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[1-[[2,6-dichloro-4-(trifluoromethoxy)phenyl]methyl]indazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-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 2-[1-[[2,6-dichloro-4-(trifluoromethoxy)phenyl]methyl]indazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine?
The IUPAC name of 2-[1-[[2,6-dichloro-4-(trifluoromethoxy)phenyl]methyl]indazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine (CID 71553701) is 2-[1-[[2,6-dichloro-4-(trifluoromethoxy)phenyl]methyl]indazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 2-[1-[[2,6-dichloro-4-(trifluoromethoxy)phenyl]methyl]indazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine?
The canonical SMILES for 2-[1-[[2,6-dichloro-4-(trifluoromethoxy)phenyl]methyl]indazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine is COc1cnc(-c2nn(Cc3c(Cl)cc(OC(F)(F)F)cc3Cl)c3ccccc23)nc1Nc1ccncc1.
What is the InChIKey of 2-[1-[[2,6-dichloro-4-(trifluoromethoxy)phenyl]methyl]indazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine?
The InChIKey is ZTLBYWPUJKXMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17Cl2F3N6O2/c1-37-21-12-32-24(34-23(21)33-14-6-8-31-9-7-14)22-16-4-2-3-5-20(16)36(35-22)13-17-18(26)10-15(11-19(17)27)38-25(28,29)30/h2-12H,13H2,1H3,(H,31,32,33,34).
What are the key properties of 2-[1-[[2,6-dichloro-4-(trifluoromethoxy)phenyl]methyl]indazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine?
2-[1-[[2,6-dichloro-4-(trifluoromethoxy)phenyl]methyl]indazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine has a molecular weight of 561.35 g/mol, XLogP of 6.89, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2,6-dichloro-4-(trifluoromethoxy)phenyl]methyl]indazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 71553701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).