4-methyl-1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6-(2-propan-2-ylphenyl)pyrazolo[3,4-d]pyrimidine

C27H25F3N6 — CID 150866174

IUPAC4-methyl-1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6-(2-propan-2-ylphenyl)pyrazolo[3,4-d]pyrimidine
SMILESCc1nc(-c2ccccc2C(C)C)nc2c1cnn2Cc1ccc(-c2nc(C(F)(F)F)cn2C)cc1
InChIInChI=1S/C27H25F3N6/c1-16(2)20-7-5-6-8-21(20)24-32-17(3)22-13-31-36(26(22)34-24)14-18-9-11-19(12-10-18)25-33-23(15-35(25)4)27(28,29)30/h5-13,15-16H,14H2,1-4H3
InChIKeyKTCDCWKVKTYLED-UHFFFAOYSA-N
MW490.53 g/mol
LogP6.39
Rot. Bonds5

About 4-methyl-1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6-(2-propan-2-ylphenyl)pyrazolo[3,4-d]pyrimidine

4-methyl-1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6-(2-propan-2-ylphenyl)pyrazolo[3,4-d]pyrimidine (PubChem CID 150866174) has the molecular formula C27H25F3N6 and a molecular weight of 490.53 g/mol. Its IUPAC name is 4-methyl-1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6-(2-propan-2-ylphenyl)pyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-methyl-1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6-(2-propan-2-ylphenyl)pyrazolo[3,4-d]pyrimidine
PubChem CID150866174
Molecular FormulaC27H25F3N6
Molecular Weight490.53 g/mol
Exact Mass490.21
IUPAC Name4-methyl-1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6-(2-propan-2-ylphenyl)pyrazolo[3,4-d]pyrimidine
SMILESCc1nc(-c2ccccc2C(C)C)nc2c1cnn2Cc1ccc(-c2nc(C(F)(F)F)cn2C)cc1
InChIInChI=1S/C27H25F3N6/c1-16(2)20-7-5-6-8-21(20)24-32-17(3)22-13-31-36(26(22)34-24)14-18-9-11-19(12-10-18)25-33-23(15-35(25)4)27(28,29)30/h5-13,15-16H,14H2,1-4H3
InChIKeyKTCDCWKVKTYLED-UHFFFAOYSA-N
XLogP6.39
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.53
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-methyl-1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6-(2-propan-2-ylphenyl)pyrazolo[3,4-d]pyrimidine 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 4-methyl-1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6-(2-propan-2-ylphenyl)pyrazolo[3,4-d]pyrimidine?
The IUPAC name of 4-methyl-1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6-(2-propan-2-ylphenyl)pyrazolo[3,4-d]pyrimidine (CID 150866174) is 4-methyl-1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6-(2-propan-2-ylphenyl)pyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 4-methyl-1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6-(2-propan-2-ylphenyl)pyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 4-methyl-1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6-(2-propan-2-ylphenyl)pyrazolo[3,4-d]pyrimidine is Cc1nc(-c2ccccc2C(C)C)nc2c1cnn2Cc1ccc(-c2nc(C(F)(F)F)cn2C)cc1.
What is the InChIKey of 4-methyl-1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6-(2-propan-2-ylphenyl)pyrazolo[3,4-d]pyrimidine?
The InChIKey is KTCDCWKVKTYLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F3N6/c1-16(2)20-7-5-6-8-21(20)24-32-17(3)22-13-31-36(26(22)34-24)14-18-9-11-19(12-10-18)25-33-23(15-35(25)4)27(28,29)30/h5-13,15-16H,14H2,1-4H3.
What are the key properties of 4-methyl-1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6-(2-propan-2-ylphenyl)pyrazolo[3,4-d]pyrimidine?
4-methyl-1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6-(2-propan-2-ylphenyl)pyrazolo[3,4-d]pyrimidine has a molecular weight of 490.53 g/mol, XLogP of 6.39, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6-(2-propan-2-ylphenyl)pyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 150866174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).