3-methyl-N-[(3R)-1-methylpiperidin-3-yl]-4-[2-phenylmethoxy-4-(trifluoromethyl)phenyl]pyrazolo[1,5-d][1,2,4]triazin-7-amine

C26H27F3N6O — CID 177370169

IUPAC3-methyl-N-[(3R)-1-methylpiperidin-3-yl]-4-[2-phenylmethoxy-4-(trifluoromethyl)phenyl]pyrazolo[1,5-d][1,2,4]triazin-7-amine
SMILESCc1cnn2c(N[C@@H]3CCCN(C)C3)nnc(-c3ccc(C(F)(F)F)cc3OCc3ccccc3)c12
InChIInChI=1S/C26H27F3N6O/c1-17-14-30-35-24(17)23(32-33-25(35)31-20-9-6-12-34(2)15-20)21-11-10-19(26(27,28)29)13-22(21)36-16-18-7-4-3-5-8-18/h3-5,7-8,10-11,13-14,20H,6,9,12,15-16H2,1-2H3,(H,31,33)/t20-/m1/s1
InChIKeyRGGXWIXYHZBPSS-HXUWFJFHSA-N
MW496.54 g/mol
LogP5.20
Rot. Bonds6

About 3-methyl-N-[(3R)-1-methylpiperidin-3-yl]-4-[2-phenylmethoxy-4-(trifluoromethyl)phenyl]pyrazolo[1,5-d][1,2,4]triazin-7-amine

3-methyl-N-[(3R)-1-methylpiperidin-3-yl]-4-[2-phenylmethoxy-4-(trifluoromethyl)phenyl]pyrazolo[1,5-d][1,2,4]triazin-7-amine (PubChem CID 177370169) has the molecular formula C26H27F3N6O and a molecular weight of 496.54 g/mol. Its IUPAC name is 3-methyl-N-[(3R)-1-methylpiperidin-3-yl]-4-[2-phenylmethoxy-4-(trifluoromethyl)phenyl]pyrazolo[1,5-d][1,2,4]triazin-7-amine.

Molecular Properties

Compound Name3-methyl-N-[(3R)-1-methylpiperidin-3-yl]-4-[2-phenylmethoxy-4-(trifluoromethyl)phenyl]pyrazolo[1,5-d][1,2,4]triazin-7-amine
PubChem CID177370169
Molecular FormulaC26H27F3N6O
Molecular Weight496.54 g/mol
Exact Mass496.22
IUPAC Name3-methyl-N-[(3R)-1-methylpiperidin-3-yl]-4-[2-phenylmethoxy-4-(trifluoromethyl)phenyl]pyrazolo[1,5-d][1,2,4]triazin-7-amine
SMILESCc1cnn2c(N[C@@H]3CCCN(C)C3)nnc(-c3ccc(C(F)(F)F)cc3OCc3ccccc3)c12
InChIInChI=1S/C26H27F3N6O/c1-17-14-30-35-24(17)23(32-33-25(35)31-20-9-6-12-34(2)15-20)21-11-10-19(26(27,28)29)13-22(21)36-16-18-7-4-3-5-8-18/h3-5,7-8,10-11,13-14,20H,6,9,12,15-16H2,1-2H3,(H,31,33)/t20-/m1/s1
InChIKeyRGGXWIXYHZBPSS-HXUWFJFHSA-N
XLogP5.20
TPSA67.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.54
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-methyl-N-[(3R)-1-methylpiperidin-3-yl]-4-[2-phenylmethoxy-4-(trifluoromethyl)phenyl]pyrazolo[1,5-d][1,2,4]triazin-7-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 3-methyl-N-[(3R)-1-methylpiperidin-3-yl]-4-[2-phenylmethoxy-4-(trifluoromethyl)phenyl]pyrazolo[1,5-d][1,2,4]triazin-7-amine?
The IUPAC name of 3-methyl-N-[(3R)-1-methylpiperidin-3-yl]-4-[2-phenylmethoxy-4-(trifluoromethyl)phenyl]pyrazolo[1,5-d][1,2,4]triazin-7-amine (CID 177370169) is 3-methyl-N-[(3R)-1-methylpiperidin-3-yl]-4-[2-phenylmethoxy-4-(trifluoromethyl)phenyl]pyrazolo[1,5-d][1,2,4]triazin-7-amine.
What is the SMILES notation for 3-methyl-N-[(3R)-1-methylpiperidin-3-yl]-4-[2-phenylmethoxy-4-(trifluoromethyl)phenyl]pyrazolo[1,5-d][1,2,4]triazin-7-amine?
The canonical SMILES for 3-methyl-N-[(3R)-1-methylpiperidin-3-yl]-4-[2-phenylmethoxy-4-(trifluoromethyl)phenyl]pyrazolo[1,5-d][1,2,4]triazin-7-amine is Cc1cnn2c(N[C@@H]3CCCN(C)C3)nnc(-c3ccc(C(F)(F)F)cc3OCc3ccccc3)c12.
What is the InChIKey of 3-methyl-N-[(3R)-1-methylpiperidin-3-yl]-4-[2-phenylmethoxy-4-(trifluoromethyl)phenyl]pyrazolo[1,5-d][1,2,4]triazin-7-amine?
The InChIKey is RGGXWIXYHZBPSS-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H27F3N6O/c1-17-14-30-35-24(17)23(32-33-25(35)31-20-9-6-12-34(2)15-20)21-11-10-19(26(27,28)29)13-22(21)36-16-18-7-4-3-5-8-18/h3-5,7-8,10-11,13-14,20H,6,9,12,15-16H2,1-2H3,(H,31,33)/t20-/m1/s1.
What are the key properties of 3-methyl-N-[(3R)-1-methylpiperidin-3-yl]-4-[2-phenylmethoxy-4-(trifluoromethyl)phenyl]pyrazolo[1,5-d][1,2,4]triazin-7-amine?
3-methyl-N-[(3R)-1-methylpiperidin-3-yl]-4-[2-phenylmethoxy-4-(trifluoromethyl)phenyl]pyrazolo[1,5-d][1,2,4]triazin-7-amine has a molecular weight of 496.54 g/mol, XLogP of 5.20, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(3R)-1-methylpiperidin-3-yl]-4-[2-phenylmethoxy-4-(trifluoromethyl)phenyl]pyrazolo[1,5-d][1,2,4]triazin-7-amine is sourced from PubChem (CID 177370169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).