N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-8-carboxamide

C22H19F3N6O2S — CID 44540481

IUPACN-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-8-carboxamide
SMILESO=C(Nc1nc(CN2CCOCC2)cs1)c1nccn2cc(-c3ccccc3C(F)(F)F)nc12
InChIInChI=1S/C22H19F3N6O2S/c23-22(24,25)16-4-2-1-3-15(16)17-12-31-6-5-26-18(19(31)28-17)20(32)29-21-27-14(13-34-21)11-30-7-9-33-10-8-30/h1-6,12-13H,7-11H2,(H,27,29,32)
InChIKeyUXYDDNFSHOHWEG-UHFFFAOYSA-N
MW488.50 g/mol
LogP3.96
Rot. Bonds5

About N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-8-carboxamide

N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-8-carboxamide (PubChem CID 44540481) has the molecular formula C22H19F3N6O2S and a molecular weight of 488.50 g/mol. Its IUPAC name is N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-8-carboxamide.

Molecular Properties

Compound NameN-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-8-carboxamide
PubChem CID44540481
Molecular FormulaC22H19F3N6O2S
Molecular Weight488.50 g/mol
Exact Mass488.12
IUPAC NameN-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-8-carboxamide
SMILESO=C(Nc1nc(CN2CCOCC2)cs1)c1nccn2cc(-c3ccccc3C(F)(F)F)nc12
InChIInChI=1S/C22H19F3N6O2S/c23-22(24,25)16-4-2-1-3-15(16)17-12-31-6-5-26-18(19(31)28-17)20(32)29-21-27-14(13-34-21)11-30-7-9-33-10-8-30/h1-6,12-13H,7-11H2,(H,27,29,32)
InChIKeyUXYDDNFSHOHWEG-UHFFFAOYSA-N
XLogP3.96
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.50
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-8-carboxamide?
The IUPAC name of N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-8-carboxamide (CID 44540481) is N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-8-carboxamide.
What is the SMILES notation for N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-8-carboxamide?
The canonical SMILES for N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-8-carboxamide is O=C(Nc1nc(CN2CCOCC2)cs1)c1nccn2cc(-c3ccccc3C(F)(F)F)nc12.
What is the InChIKey of N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-8-carboxamide?
The InChIKey is UXYDDNFSHOHWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N6O2S/c23-22(24,25)16-4-2-1-3-15(16)17-12-31-6-5-26-18(19(31)28-17)20(32)29-21-27-14(13-34-21)11-30-7-9-33-10-8-30/h1-6,12-13H,7-11H2,(H,27,29,32).
What are the key properties of N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-8-carboxamide?
N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-8-carboxamide has a molecular weight of 488.50 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-8-carboxamide is sourced from PubChem (CID 44540481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).