N-[(7R)-6-cyano-7-(4-cyanophenyl)-5-methyl-4-[3-(trifluoromethyl)phenyl]-7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]oxolane-3-carboxamide

C26H20F3N7O2 — CID 46841345

IUPACN-[(7R)-6-cyano-7-(4-cyanophenyl)-5-methyl-4-[3-(trifluoromethyl)phenyl]-7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]oxolane-3-carboxamide
SMILESCC1=C(C#N)[C@@H](c2ccc(C#N)cc2)n2nc(NC(=O)C3CCOC3)nc2N1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C26H20F3N7O2/c1-15-21(13-31)22(17-7-5-16(12-30)6-8-17)36-25(33-24(34-36)32-23(37)18-9-10-38-14-18)35(15)20-4-2-3-19(11-20)26(27,28)29/h2-8,11,18,22H,9-10,14H2,1H3,(H,32,34,37)/t18?,22-/m1/s1
InChIKeyKAGKRYLUZKXVHX-LMNIDFBRSA-N
MW519.49 g/mol
LogP4.68
Rot. Bonds4

About N-[(7R)-6-cyano-7-(4-cyanophenyl)-5-methyl-4-[3-(trifluoromethyl)phenyl]-7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]oxolane-3-carboxamide

N-[(7R)-6-cyano-7-(4-cyanophenyl)-5-methyl-4-[3-(trifluoromethyl)phenyl]-7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]oxolane-3-carboxamide (PubChem CID 46841345) has the molecular formula C26H20F3N7O2 and a molecular weight of 519.49 g/mol. Its IUPAC name is N-[(7R)-6-cyano-7-(4-cyanophenyl)-5-methyl-4-[3-(trifluoromethyl)phenyl]-7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[(7R)-6-cyano-7-(4-cyanophenyl)-5-methyl-4-[3-(trifluoromethyl)phenyl]-7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]oxolane-3-carboxamide
PubChem CID46841345
Molecular FormulaC26H20F3N7O2
Molecular Weight519.49 g/mol
Exact Mass519.16
IUPAC NameN-[(7R)-6-cyano-7-(4-cyanophenyl)-5-methyl-4-[3-(trifluoromethyl)phenyl]-7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]oxolane-3-carboxamide
SMILESCC1=C(C#N)[C@@H](c2ccc(C#N)cc2)n2nc(NC(=O)C3CCOC3)nc2N1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C26H20F3N7O2/c1-15-21(13-31)22(17-7-5-16(12-30)6-8-17)36-25(33-24(34-36)32-23(37)18-9-10-38-14-18)35(15)20-4-2-3-19(11-20)26(27,28)29/h2-8,11,18,22H,9-10,14H2,1H3,(H,32,34,37)/t18?,22-/m1/s1
InChIKeyKAGKRYLUZKXVHX-LMNIDFBRSA-N
XLogP4.68
TPSA119.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.49
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[(7R)-6-cyano-7-(4-cyanophenyl)-5-methyl-4-[3-(trifluoromethyl)phenyl]-7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]oxolane-3-carboxamide 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 N-[(7R)-6-cyano-7-(4-cyanophenyl)-5-methyl-4-[3-(trifluoromethyl)phenyl]-7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]oxolane-3-carboxamide?
The IUPAC name of N-[(7R)-6-cyano-7-(4-cyanophenyl)-5-methyl-4-[3-(trifluoromethyl)phenyl]-7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]oxolane-3-carboxamide (CID 46841345) is N-[(7R)-6-cyano-7-(4-cyanophenyl)-5-methyl-4-[3-(trifluoromethyl)phenyl]-7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]oxolane-3-carboxamide.
What is the SMILES notation for N-[(7R)-6-cyano-7-(4-cyanophenyl)-5-methyl-4-[3-(trifluoromethyl)phenyl]-7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]oxolane-3-carboxamide?
The canonical SMILES for N-[(7R)-6-cyano-7-(4-cyanophenyl)-5-methyl-4-[3-(trifluoromethyl)phenyl]-7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]oxolane-3-carboxamide is CC1=C(C#N)[C@@H](c2ccc(C#N)cc2)n2nc(NC(=O)C3CCOC3)nc2N1c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[(7R)-6-cyano-7-(4-cyanophenyl)-5-methyl-4-[3-(trifluoromethyl)phenyl]-7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]oxolane-3-carboxamide?
The InChIKey is KAGKRYLUZKXVHX-LMNIDFBRSA-N. The full InChI is InChI=1S/C26H20F3N7O2/c1-15-21(13-31)22(17-7-5-16(12-30)6-8-17)36-25(33-24(34-36)32-23(37)18-9-10-38-14-18)35(15)20-4-2-3-19(11-20)26(27,28)29/h2-8,11,18,22H,9-10,14H2,1H3,(H,32,34,37)/t18?,22-/m1/s1.
What are the key properties of N-[(7R)-6-cyano-7-(4-cyanophenyl)-5-methyl-4-[3-(trifluoromethyl)phenyl]-7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]oxolane-3-carboxamide?
N-[(7R)-6-cyano-7-(4-cyanophenyl)-5-methyl-4-[3-(trifluoromethyl)phenyl]-7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]oxolane-3-carboxamide has a molecular weight of 519.49 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7R)-6-cyano-7-(4-cyanophenyl)-5-methyl-4-[3-(trifluoromethyl)phenyl]-7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]oxolane-3-carboxamide is sourced from PubChem (CID 46841345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).