N-methyl-N-(5-methylsulfonyl-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide

C21H16F3N5O3S — CID 90157842

IUPACN-methyl-N-(5-methylsulfonyl-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
SMILESCN(C(=O)c1cn2c(-c3ccc(C(F)(F)F)cc3)cnc2cn1)c1ccc(S(C)(=O)=O)cn1
InChIInChI=1S/C21H16F3N5O3S/c1-28(18-8-7-15(9-26-18)33(2,31)32)20(30)16-12-29-17(10-27-19(29)11-25-16)13-3-5-14(6-4-13)21(22,23)24/h3-12H,1-2H3
InChIKeySSAYSDKAABWPMT-UHFFFAOYSA-N
MW475.45 g/mol
LogP3.49
Rot. Bonds4

About N-methyl-N-(5-methylsulfonyl-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide

N-methyl-N-(5-methylsulfonyl-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide (PubChem CID 90157842) has the molecular formula C21H16F3N5O3S and a molecular weight of 475.45 g/mol. Its IUPAC name is N-methyl-N-(5-methylsulfonyl-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(5-methylsulfonyl-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
PubChem CID90157842
Molecular FormulaC21H16F3N5O3S
Molecular Weight475.45 g/mol
Exact Mass475.09
IUPAC NameN-methyl-N-(5-methylsulfonyl-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
SMILESCN(C(=O)c1cn2c(-c3ccc(C(F)(F)F)cc3)cnc2cn1)c1ccc(S(C)(=O)=O)cn1
InChIInChI=1S/C21H16F3N5O3S/c1-28(18-8-7-15(9-26-18)33(2,31)32)20(30)16-12-29-17(10-27-19(29)11-25-16)13-3-5-14(6-4-13)21(22,23)24/h3-12H,1-2H3
InChIKeySSAYSDKAABWPMT-UHFFFAOYSA-N
XLogP3.49
TPSA97.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.45
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(5-methylsulfonyl-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide?
The IUPAC name of N-methyl-N-(5-methylsulfonyl-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide (CID 90157842) is N-methyl-N-(5-methylsulfonyl-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide.
What is the SMILES notation for N-methyl-N-(5-methylsulfonyl-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide?
The canonical SMILES for N-methyl-N-(5-methylsulfonyl-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide is CN(C(=O)c1cn2c(-c3ccc(C(F)(F)F)cc3)cnc2cn1)c1ccc(S(C)(=O)=O)cn1.
What is the InChIKey of N-methyl-N-(5-methylsulfonyl-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide?
The InChIKey is SSAYSDKAABWPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N5O3S/c1-28(18-8-7-15(9-26-18)33(2,31)32)20(30)16-12-29-17(10-27-19(29)11-25-16)13-3-5-14(6-4-13)21(22,23)24/h3-12H,1-2H3.
What are the key properties of N-methyl-N-(5-methylsulfonyl-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide?
N-methyl-N-(5-methylsulfonyl-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide has a molecular weight of 475.45 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(5-methylsulfonyl-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide is sourced from PubChem (CID 90157842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).