N-methyl-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidin-4-amine

C16H16F3N7 — CID 171997767

IUPACN-methyl-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidin-4-amine
SMILESCN(c1ccncn1)C1CCN(c2nccn3cc(C(F)(F)F)nc23)C1
InChIInChI=1S/C16H16F3N7/c1-24(13-2-4-20-10-22-13)11-3-6-25(8-11)14-15-23-12(16(17,18)19)9-26(15)7-5-21-14/h2,4-5,7,9-11H,3,6,8H2,1H3
InChIKeyBFLDMEFDARWUDB-UHFFFAOYSA-N
MW363.35 g/mol
LogP2.25
Rot. Bonds3

About N-methyl-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidin-4-amine

N-methyl-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidin-4-amine (PubChem CID 171997767) has the molecular formula C16H16F3N7 and a molecular weight of 363.35 g/mol. Its IUPAC name is N-methyl-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidin-4-amine
PubChem CID171997767
Molecular FormulaC16H16F3N7
Molecular Weight363.35 g/mol
Exact Mass363.14
IUPAC NameN-methyl-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidin-4-amine
SMILESCN(c1ccncn1)C1CCN(c2nccn3cc(C(F)(F)F)nc23)C1
InChIInChI=1S/C16H16F3N7/c1-24(13-2-4-20-10-22-13)11-3-6-25(8-11)14-15-23-12(16(17,18)19)9-26(15)7-5-21-14/h2,4-5,7,9-11H,3,6,8H2,1H3
InChIKeyBFLDMEFDARWUDB-UHFFFAOYSA-N
XLogP2.25
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.35
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-methyl-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]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 N-methyl-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidin-4-amine?
The IUPAC name of N-methyl-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidin-4-amine (CID 171997767) is N-methyl-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidin-4-amine?
The canonical SMILES for N-methyl-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidin-4-amine is CN(c1ccncn1)C1CCN(c2nccn3cc(C(F)(F)F)nc23)C1.
What is the InChIKey of N-methyl-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidin-4-amine?
The InChIKey is BFLDMEFDARWUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N7/c1-24(13-2-4-20-10-22-13)11-3-6-25(8-11)14-15-23-12(16(17,18)19)9-26(15)7-5-21-14/h2,4-5,7,9-11H,3,6,8H2,1H3.
What are the key properties of N-methyl-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidin-4-amine?
N-methyl-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidin-4-amine has a molecular weight of 363.35 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 171997767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).