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

C21H16F3N5O — CID 90157051

IUPACN-methyl-N-(5-methyl-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
SMILESCc1ccc(N(C)C(=O)c2cn3c(-c4ccc(C(F)(F)F)cc4)cnc3cn2)nc1
InChIInChI=1S/C21H16F3N5O/c1-13-3-8-18(26-9-13)28(2)20(30)16-12-29-17(10-27-19(29)11-25-16)14-4-6-15(7-5-14)21(22,23)24/h3-12H,1-2H3
InChIKeyBHLKJCNHVCUBNR-UHFFFAOYSA-N
MW411.39 g/mol
LogP4.40
Rot. Bonds3

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

N-methyl-N-(5-methyl-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide (PubChem CID 90157051) has the molecular formula C21H16F3N5O and a molecular weight of 411.39 g/mol. Its IUPAC name is N-methyl-N-(5-methyl-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(5-methyl-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
PubChem CID90157051
Molecular FormulaC21H16F3N5O
Molecular Weight411.39 g/mol
Exact Mass411.13
IUPAC NameN-methyl-N-(5-methyl-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
SMILESCc1ccc(N(C)C(=O)c2cn3c(-c4ccc(C(F)(F)F)cc4)cnc3cn2)nc1
InChIInChI=1S/C21H16F3N5O/c1-13-3-8-18(26-9-13)28(2)20(30)16-12-29-17(10-27-19(29)11-25-16)14-4-6-15(7-5-14)21(22,23)24/h3-12H,1-2H3
InChIKeyBHLKJCNHVCUBNR-UHFFFAOYSA-N
XLogP4.40
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.39
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(5-methyl-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide?
The IUPAC name of N-methyl-N-(5-methyl-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide (CID 90157051) is N-methyl-N-(5-methyl-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide.
What is the SMILES notation for N-methyl-N-(5-methyl-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide?
The canonical SMILES for N-methyl-N-(5-methyl-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide is Cc1ccc(N(C)C(=O)c2cn3c(-c4ccc(C(F)(F)F)cc4)cnc3cn2)nc1.
What is the InChIKey of N-methyl-N-(5-methyl-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide?
The InChIKey is BHLKJCNHVCUBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N5O/c1-13-3-8-18(26-9-13)28(2)20(30)16-12-29-17(10-27-19(29)11-25-16)14-4-6-15(7-5-14)21(22,23)24/h3-12H,1-2H3.
What are the key properties of N-methyl-N-(5-methyl-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide?
N-methyl-N-(5-methyl-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide has a molecular weight of 411.39 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(5-methyl-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide is sourced from PubChem (CID 90157051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).