7-methyl-N-pyrazin-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrrolo[2,3-d]pyrimidin-4-amine

C19H13F3N8OS — CID 149398359

IUPAC7-methyl-N-pyrazin-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCn1ccc2c(N(Cc3ccc(-c4noc(C(F)(F)F)n4)s3)c3cnccn3)ncnc21
InChIInChI=1S/C19H13F3N8OS/c1-29-7-4-12-16(29)25-10-26-17(12)30(14-8-23-5-6-24-14)9-11-2-3-13(32-11)15-27-18(31-28-15)19(20,21)22/h2-8,10H,9H2,1H3
InChIKeyYOWVRVWNKHCQGQ-UHFFFAOYSA-N
MW458.43 g/mol
LogP4.23
Rot. Bonds5

About 7-methyl-N-pyrazin-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrrolo[2,3-d]pyrimidin-4-amine

7-methyl-N-pyrazin-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 149398359) has the molecular formula C19H13F3N8OS and a molecular weight of 458.43 g/mol. Its IUPAC name is 7-methyl-N-pyrazin-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-methyl-N-pyrazin-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID149398359
Molecular FormulaC19H13F3N8OS
Molecular Weight458.43 g/mol
Exact Mass458.09
IUPAC Name7-methyl-N-pyrazin-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCn1ccc2c(N(Cc3ccc(-c4noc(C(F)(F)F)n4)s3)c3cnccn3)ncnc21
InChIInChI=1S/C19H13F3N8OS/c1-29-7-4-12-16(29)25-10-26-17(12)30(14-8-23-5-6-24-14)9-11-2-3-13(32-11)15-27-18(31-28-15)19(20,21)22/h2-8,10H,9H2,1H3
InChIKeyYOWVRVWNKHCQGQ-UHFFFAOYSA-N
XLogP4.23
TPSA98.65 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.43
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 7-methyl-N-pyrazin-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrrolo[2,3-d]pyrimidin-4-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 7-methyl-N-pyrazin-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-methyl-N-pyrazin-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrrolo[2,3-d]pyrimidin-4-amine (CID 149398359) is 7-methyl-N-pyrazin-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-methyl-N-pyrazin-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-methyl-N-pyrazin-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrrolo[2,3-d]pyrimidin-4-amine is Cn1ccc2c(N(Cc3ccc(-c4noc(C(F)(F)F)n4)s3)c3cnccn3)ncnc21.
What is the InChIKey of 7-methyl-N-pyrazin-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is YOWVRVWNKHCQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N8OS/c1-29-7-4-12-16(29)25-10-26-17(12)30(14-8-23-5-6-24-14)9-11-2-3-13(32-11)15-27-18(31-28-15)19(20,21)22/h2-8,10H,9H2,1H3.
What are the key properties of 7-methyl-N-pyrazin-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrrolo[2,3-d]pyrimidin-4-amine?
7-methyl-N-pyrazin-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 458.43 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-pyrazin-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 149398359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).