N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide

C24H16F3N5OS — CID 90157405

IUPACN-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
SMILESCN(C(=O)c1cn2c(-c3ccc(C(F)(F)F)cc3)cnc2cn1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C24H16F3N5OS/c1-31(23-30-19(14-34-23)15-5-3-2-4-6-15)22(33)18-13-32-20(11-29-21(32)12-28-18)16-7-9-17(10-8-16)24(25,26)27/h2-14H,1H3
InChIKeyNQDNWMDNJYUQEN-UHFFFAOYSA-N
MW479.49 g/mol
LogP5.82
Rot. Bonds4

About N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide

N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide (PubChem CID 90157405) has the molecular formula C24H16F3N5OS and a molecular weight of 479.49 g/mol. Its IUPAC name is N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
PubChem CID90157405
Molecular FormulaC24H16F3N5OS
Molecular Weight479.49 g/mol
Exact Mass479.10
IUPAC NameN-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
SMILESCN(C(=O)c1cn2c(-c3ccc(C(F)(F)F)cc3)cnc2cn1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C24H16F3N5OS/c1-31(23-30-19(14-34-23)15-5-3-2-4-6-15)22(33)18-13-32-20(11-29-21(32)12-28-18)16-7-9-17(10-8-16)24(25,26)27/h2-14H,1H3
InChIKeyNQDNWMDNJYUQEN-UHFFFAOYSA-N
XLogP5.82
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.49
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide?
The IUPAC name of N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide (CID 90157405) is N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide.
What is the SMILES notation for N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide?
The canonical SMILES for N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide is CN(C(=O)c1cn2c(-c3ccc(C(F)(F)F)cc3)cnc2cn1)c1nc(-c2ccccc2)cs1.
What is the InChIKey of N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide?
The InChIKey is NQDNWMDNJYUQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F3N5OS/c1-31(23-30-19(14-34-23)15-5-3-2-4-6-15)22(33)18-13-32-20(11-29-21(32)12-28-18)16-7-9-17(10-8-16)24(25,26)27/h2-14H,1H3.
What are the key properties of N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide?
N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide has a molecular weight of 479.49 g/mol, XLogP of 5.82, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide is sourced from PubChem (CID 90157405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).