4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-1-(3,3,3-trifluoropropyl)piperazine-2-carboxamide

C20H19F6N7O — CID 139344584

IUPAC4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-1-(3,3,3-trifluoropropyl)piperazine-2-carboxamide
SMILESNC(=O)C1CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CCN1CCC(F)(F)F
InChIInChI=1S/C20H19F6N7O/c21-19(22,23)4-6-31-7-8-32(11-14(31)17(27)34)16-3-5-28-18(30-16)13-9-29-15-2-1-12(10-33(13)15)20(24,25)26/h1-3,5,9-10,14H,4,6-8,11H2,(H2,27,34)
InChIKeyOFGRZPWNOJEBMR-UHFFFAOYSA-N
MW487.41 g/mol
LogP2.74
Rot. Bonds5

About 4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-1-(3,3,3-trifluoropropyl)piperazine-2-carboxamide

4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-1-(3,3,3-trifluoropropyl)piperazine-2-carboxamide (PubChem CID 139344584) has the molecular formula C20H19F6N7O and a molecular weight of 487.41 g/mol. Its IUPAC name is 4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-1-(3,3,3-trifluoropropyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-1-(3,3,3-trifluoropropyl)piperazine-2-carboxamide
PubChem CID139344584
Molecular FormulaC20H19F6N7O
Molecular Weight487.41 g/mol
Exact Mass487.16
IUPAC Name4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-1-(3,3,3-trifluoropropyl)piperazine-2-carboxamide
SMILESNC(=O)C1CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CCN1CCC(F)(F)F
InChIInChI=1S/C20H19F6N7O/c21-19(22,23)4-6-31-7-8-32(11-14(31)17(27)34)16-3-5-28-18(30-16)13-9-29-15-2-1-12(10-33(13)15)20(24,25)26/h1-3,5,9-10,14H,4,6-8,11H2,(H2,27,34)
InChIKeyOFGRZPWNOJEBMR-UHFFFAOYSA-N
XLogP2.74
TPSA92.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-1-(3,3,3-trifluoropropyl)piperazine-2-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 4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-1-(3,3,3-trifluoropropyl)piperazine-2-carboxamide?
The IUPAC name of 4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-1-(3,3,3-trifluoropropyl)piperazine-2-carboxamide (CID 139344584) is 4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-1-(3,3,3-trifluoropropyl)piperazine-2-carboxamide.
What is the SMILES notation for 4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-1-(3,3,3-trifluoropropyl)piperazine-2-carboxamide?
The canonical SMILES for 4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-1-(3,3,3-trifluoropropyl)piperazine-2-carboxamide is NC(=O)C1CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CCN1CCC(F)(F)F.
What is the InChIKey of 4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-1-(3,3,3-trifluoropropyl)piperazine-2-carboxamide?
The InChIKey is OFGRZPWNOJEBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F6N7O/c21-19(22,23)4-6-31-7-8-32(11-14(31)17(27)34)16-3-5-28-18(30-16)13-9-29-15-2-1-12(10-33(13)15)20(24,25)26/h1-3,5,9-10,14H,4,6-8,11H2,(H2,27,34).
What are the key properties of 4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-1-(3,3,3-trifluoropropyl)piperazine-2-carboxamide?
4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-1-(3,3,3-trifluoropropyl)piperazine-2-carboxamide has a molecular weight of 487.41 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-1-(3,3,3-trifluoropropyl)piperazine-2-carboxamide is sourced from PubChem (CID 139344584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).