7-methyl-4-[4-(trifluoromethoxy)anilino]pyrrolo[2,3-d]pyrimidine-6-carboxamide

C15H12F3N5O2 — CID 68627597

IUPAC7-methyl-4-[4-(trifluoromethoxy)anilino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCn1c(C(N)=O)cc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc21
InChIInChI=1S/C15H12F3N5O2/c1-23-11(12(19)24)6-10-13(20-7-21-14(10)23)22-8-2-4-9(5-3-8)25-15(16,17)18/h2-7H,1H3,(H2,19,24)(H,20,21,22)
InChIKeyICPDGFRTTYYXFM-UHFFFAOYSA-N
MW351.29 g/mol
LogP2.71
Rot. Bonds4

About 7-methyl-4-[4-(trifluoromethoxy)anilino]pyrrolo[2,3-d]pyrimidine-6-carboxamide

7-methyl-4-[4-(trifluoromethoxy)anilino]pyrrolo[2,3-d]pyrimidine-6-carboxamide (PubChem CID 68627597) has the molecular formula C15H12F3N5O2 and a molecular weight of 351.29 g/mol. Its IUPAC name is 7-methyl-4-[4-(trifluoromethoxy)anilino]pyrrolo[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-methyl-4-[4-(trifluoromethoxy)anilino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
PubChem CID68627597
Molecular FormulaC15H12F3N5O2
Molecular Weight351.29 g/mol
Exact Mass351.09
IUPAC Name7-methyl-4-[4-(trifluoromethoxy)anilino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCn1c(C(N)=O)cc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc21
InChIInChI=1S/C15H12F3N5O2/c1-23-11(12(19)24)6-10-13(20-7-21-14(10)23)22-8-2-4-9(5-3-8)25-15(16,17)18/h2-7H,1H3,(H2,19,24)(H,20,21,22)
InChIKeyICPDGFRTTYYXFM-UHFFFAOYSA-N
XLogP2.71
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.29
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-methyl-4-[4-(trifluoromethoxy)anilino]pyrrolo[2,3-d]pyrimidine-6-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 7-methyl-4-[4-(trifluoromethoxy)anilino]pyrrolo[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 7-methyl-4-[4-(trifluoromethoxy)anilino]pyrrolo[2,3-d]pyrimidine-6-carboxamide (CID 68627597) is 7-methyl-4-[4-(trifluoromethoxy)anilino]pyrrolo[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-methyl-4-[4-(trifluoromethoxy)anilino]pyrrolo[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 7-methyl-4-[4-(trifluoromethoxy)anilino]pyrrolo[2,3-d]pyrimidine-6-carboxamide is Cn1c(C(N)=O)cc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc21.
What is the InChIKey of 7-methyl-4-[4-(trifluoromethoxy)anilino]pyrrolo[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is ICPDGFRTTYYXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N5O2/c1-23-11(12(19)24)6-10-13(20-7-21-14(10)23)22-8-2-4-9(5-3-8)25-15(16,17)18/h2-7H,1H3,(H2,19,24)(H,20,21,22).
What are the key properties of 7-methyl-4-[4-(trifluoromethoxy)anilino]pyrrolo[2,3-d]pyrimidine-6-carboxamide?
7-methyl-4-[4-(trifluoromethoxy)anilino]pyrrolo[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 351.29 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-[4-(trifluoromethoxy)anilino]pyrrolo[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 68627597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).