2-[1-[[3-methyl-5-(trifluoromethyl)triazol-4-yl]methyl]indazol-3-yl]-5-(pyridin-4-ylmethoxy)pyrimidin-4-amine

C22H18F3N9O — CID 90461919

IUPAC2-[1-[[3-methyl-5-(trifluoromethyl)triazol-4-yl]methyl]indazol-3-yl]-5-(pyridin-4-ylmethoxy)pyrimidin-4-amine
SMILESCn1nnc(C(F)(F)F)c1Cn1nc(-c2ncc(OCc3ccncc3)c(N)n2)c2ccccc21
InChIInChI=1S/C22H18F3N9O/c1-33-16(19(30-32-33)22(23,24)25)11-34-15-5-3-2-4-14(15)18(31-34)21-28-10-17(20(26)29-21)35-12-13-6-8-27-9-7-13/h2-10H,11-12H2,1H3,(H2,26,28,29)
InChIKeyLCBZTBPRIPMPJN-UHFFFAOYSA-N
MW481.44 g/mol
LogP3.25
Rot. Bonds6

About 2-[1-[[3-methyl-5-(trifluoromethyl)triazol-4-yl]methyl]indazol-3-yl]-5-(pyridin-4-ylmethoxy)pyrimidin-4-amine

2-[1-[[3-methyl-5-(trifluoromethyl)triazol-4-yl]methyl]indazol-3-yl]-5-(pyridin-4-ylmethoxy)pyrimidin-4-amine (PubChem CID 90461919) has the molecular formula C22H18F3N9O and a molecular weight of 481.44 g/mol. Its IUPAC name is 2-[1-[[3-methyl-5-(trifluoromethyl)triazol-4-yl]methyl]indazol-3-yl]-5-(pyridin-4-ylmethoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name2-[1-[[3-methyl-5-(trifluoromethyl)triazol-4-yl]methyl]indazol-3-yl]-5-(pyridin-4-ylmethoxy)pyrimidin-4-amine
PubChem CID90461919
Molecular FormulaC22H18F3N9O
Molecular Weight481.44 g/mol
Exact Mass481.16
IUPAC Name2-[1-[[3-methyl-5-(trifluoromethyl)triazol-4-yl]methyl]indazol-3-yl]-5-(pyridin-4-ylmethoxy)pyrimidin-4-amine
SMILESCn1nnc(C(F)(F)F)c1Cn1nc(-c2ncc(OCc3ccncc3)c(N)n2)c2ccccc21
InChIInChI=1S/C22H18F3N9O/c1-33-16(19(30-32-33)22(23,24)25)11-34-15-5-3-2-4-14(15)18(31-34)21-28-10-17(20(26)29-21)35-12-13-6-8-27-9-7-13/h2-10H,11-12H2,1H3,(H2,26,28,29)
InChIKeyLCBZTBPRIPMPJN-UHFFFAOYSA-N
XLogP3.25
TPSA122.45 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.44
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-[1-[[3-methyl-5-(trifluoromethyl)triazol-4-yl]methyl]indazol-3-yl]-5-(pyridin-4-ylmethoxy)pyrimidin-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-[[3-methyl-5-(trifluoromethyl)triazol-4-yl]methyl]indazol-3-yl]-5-(pyridin-4-ylmethoxy)pyrimidin-4-amine?
The IUPAC name of 2-[1-[[3-methyl-5-(trifluoromethyl)triazol-4-yl]methyl]indazol-3-yl]-5-(pyridin-4-ylmethoxy)pyrimidin-4-amine (CID 90461919) is 2-[1-[[3-methyl-5-(trifluoromethyl)triazol-4-yl]methyl]indazol-3-yl]-5-(pyridin-4-ylmethoxy)pyrimidin-4-amine.
What is the SMILES notation for 2-[1-[[3-methyl-5-(trifluoromethyl)triazol-4-yl]methyl]indazol-3-yl]-5-(pyridin-4-ylmethoxy)pyrimidin-4-amine?
The canonical SMILES for 2-[1-[[3-methyl-5-(trifluoromethyl)triazol-4-yl]methyl]indazol-3-yl]-5-(pyridin-4-ylmethoxy)pyrimidin-4-amine is Cn1nnc(C(F)(F)F)c1Cn1nc(-c2ncc(OCc3ccncc3)c(N)n2)c2ccccc21.
What is the InChIKey of 2-[1-[[3-methyl-5-(trifluoromethyl)triazol-4-yl]methyl]indazol-3-yl]-5-(pyridin-4-ylmethoxy)pyrimidin-4-amine?
The InChIKey is LCBZTBPRIPMPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N9O/c1-33-16(19(30-32-33)22(23,24)25)11-34-15-5-3-2-4-14(15)18(31-34)21-28-10-17(20(26)29-21)35-12-13-6-8-27-9-7-13/h2-10H,11-12H2,1H3,(H2,26,28,29).
What are the key properties of 2-[1-[[3-methyl-5-(trifluoromethyl)triazol-4-yl]methyl]indazol-3-yl]-5-(pyridin-4-ylmethoxy)pyrimidin-4-amine?
2-[1-[[3-methyl-5-(trifluoromethyl)triazol-4-yl]methyl]indazol-3-yl]-5-(pyridin-4-ylmethoxy)pyrimidin-4-amine has a molecular weight of 481.44 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[3-methyl-5-(trifluoromethyl)triazol-4-yl]methyl]indazol-3-yl]-5-(pyridin-4-ylmethoxy)pyrimidin-4-amine is sourced from PubChem (CID 90461919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).