N-methyl-N-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-2-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide

C27H27F3N6O2 — CID 137425321

IUPACN-methyl-N-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-2-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
SMILESCc1cc(-c2ncc3cc(C(F)(F)F)ccc3n2)ccc1N(C)C(=O)c1ccnn1CCN1CCOCC1
InChIInChI=1S/C27H27F3N6O2/c1-18-15-19(25-31-17-20-16-21(27(28,29)30)4-5-22(20)33-25)3-6-23(18)34(2)26(37)24-7-8-32-36(24)10-9-35-11-13-38-14-12-35/h3-8,15-17H,9-14H2,1-2H3
InChIKeyQICQIIRUBPZIGE-UHFFFAOYSA-N
MW524.55 g/mol
LogP4.43
Rot. Bonds6

About N-methyl-N-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-2-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide

N-methyl-N-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-2-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide (PubChem CID 137425321) has the molecular formula C27H27F3N6O2 and a molecular weight of 524.55 g/mol. Its IUPAC name is N-methyl-N-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-2-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-2-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
PubChem CID137425321
Molecular FormulaC27H27F3N6O2
Molecular Weight524.55 g/mol
Exact Mass524.21
IUPAC NameN-methyl-N-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-2-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
SMILESCc1cc(-c2ncc3cc(C(F)(F)F)ccc3n2)ccc1N(C)C(=O)c1ccnn1CCN1CCOCC1
InChIInChI=1S/C27H27F3N6O2/c1-18-15-19(25-31-17-20-16-21(27(28,29)30)4-5-22(20)33-25)3-6-23(18)34(2)26(37)24-7-8-32-36(24)10-9-35-11-13-38-14-12-35/h3-8,15-17H,9-14H2,1-2H3
InChIKeyQICQIIRUBPZIGE-UHFFFAOYSA-N
XLogP4.43
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.55
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-methyl-N-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-2-(2-morpholin-4-ylethyl)pyrazole-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-methyl-N-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-2-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide?
The IUPAC name of N-methyl-N-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-2-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide (CID 137425321) is N-methyl-N-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-2-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-methyl-N-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-2-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-methyl-N-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-2-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide is Cc1cc(-c2ncc3cc(C(F)(F)F)ccc3n2)ccc1N(C)C(=O)c1ccnn1CCN1CCOCC1.
What is the InChIKey of N-methyl-N-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-2-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide?
The InChIKey is QICQIIRUBPZIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F3N6O2/c1-18-15-19(25-31-17-20-16-21(27(28,29)30)4-5-22(20)33-25)3-6-23(18)34(2)26(37)24-7-8-32-36(24)10-9-35-11-13-38-14-12-35/h3-8,15-17H,9-14H2,1-2H3.
What are the key properties of N-methyl-N-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-2-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide?
N-methyl-N-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-2-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide has a molecular weight of 524.55 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-2-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 137425321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).