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

C20H13F4N5O — CID 90157696

IUPACN-(3-fluoro-2-pyridinyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
SMILESCN(C(=O)c1cn2c(-c3ccc(C(F)(F)F)cc3)cnc2cn1)c1ncccc1F
InChIInChI=1S/C20H13F4N5O/c1-28(18-14(21)3-2-8-25-18)19(30)15-11-29-16(9-27-17(29)10-26-15)12-4-6-13(7-5-12)20(22,23)24/h2-11H,1H3
InChIKeyMYWBQPOXOOAXPM-UHFFFAOYSA-N
MW415.35 g/mol
LogP4.23
Rot. Bonds3

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

N-(3-fluoro-2-pyridinyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide (PubChem CID 90157696) has the molecular formula C20H13F4N5O and a molecular weight of 415.35 g/mol. Its IUPAC name is N-(3-fluoro-2-pyridinyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-2-pyridinyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
PubChem CID90157696
Molecular FormulaC20H13F4N5O
Molecular Weight415.35 g/mol
Exact Mass415.11
IUPAC NameN-(3-fluoro-2-pyridinyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
SMILESCN(C(=O)c1cn2c(-c3ccc(C(F)(F)F)cc3)cnc2cn1)c1ncccc1F
InChIInChI=1S/C20H13F4N5O/c1-28(18-14(21)3-2-8-25-18)19(30)15-11-29-16(9-27-17(29)10-26-15)12-4-6-13(7-5-12)20(22,23)24/h2-11H,1H3
InChIKeyMYWBQPOXOOAXPM-UHFFFAOYSA-N
XLogP4.23
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.35
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-2-pyridinyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide?
The IUPAC name of N-(3-fluoro-2-pyridinyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide (CID 90157696) is N-(3-fluoro-2-pyridinyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide.
What is the SMILES notation for N-(3-fluoro-2-pyridinyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide?
The canonical SMILES for N-(3-fluoro-2-pyridinyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide is CN(C(=O)c1cn2c(-c3ccc(C(F)(F)F)cc3)cnc2cn1)c1ncccc1F.
What is the InChIKey of N-(3-fluoro-2-pyridinyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide?
The InChIKey is MYWBQPOXOOAXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F4N5O/c1-28(18-14(21)3-2-8-25-18)19(30)15-11-29-16(9-27-17(29)10-26-15)12-4-6-13(7-5-12)20(22,23)24/h2-11H,1H3.
What are the key properties of N-(3-fluoro-2-pyridinyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide?
N-(3-fluoro-2-pyridinyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide has a molecular weight of 415.35 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-2-pyridinyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide is sourced from PubChem (CID 90157696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).