N-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-(trifluoromethyl)benzamide

C26H19F3N6O — CID 46878649

IUPACN-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc(-c2cn3ccnc3c(NCc3ccncc3)n2)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C26H19F3N6O/c27-26(28,29)20-5-1-4-19(13-20)25(36)33-21-6-2-3-18(14-21)22-16-35-12-11-31-24(35)23(34-22)32-15-17-7-9-30-10-8-17/h1-14,16H,15H2,(H,32,34)(H,33,36)
InChIKeyMSOIEDXPFWQELX-UHFFFAOYSA-N
MW488.47 g/mol
LogP5.67
Rot. Bonds6

About N-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-(trifluoromethyl)benzamide

N-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 46878649) has the molecular formula C26H19F3N6O and a molecular weight of 488.47 g/mol. Its IUPAC name is N-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-(trifluoromethyl)benzamide
PubChem CID46878649
Molecular FormulaC26H19F3N6O
Molecular Weight488.47 g/mol
Exact Mass488.16
IUPAC NameN-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc(-c2cn3ccnc3c(NCc3ccncc3)n2)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C26H19F3N6O/c27-26(28,29)20-5-1-4-19(13-20)25(36)33-21-6-2-3-18(14-21)22-16-35-12-11-31-24(35)23(34-22)32-15-17-7-9-30-10-8-17/h1-14,16H,15H2,(H,32,34)(H,33,36)
InChIKeyMSOIEDXPFWQELX-UHFFFAOYSA-N
XLogP5.67
TPSA84.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.47
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-(trifluoromethyl)benzamide (CID 46878649) is N-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-(trifluoromethyl)benzamide is O=C(Nc1cccc(-c2cn3ccnc3c(NCc3ccncc3)n2)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is MSOIEDXPFWQELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F3N6O/c27-26(28,29)20-5-1-4-19(13-20)25(36)33-21-6-2-3-18(14-21)22-16-35-12-11-31-24(35)23(34-22)32-15-17-7-9-30-10-8-17/h1-14,16H,15H2,(H,32,34)(H,33,36).
What are the key properties of N-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-(trifluoromethyl)benzamide?
N-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 488.47 g/mol, XLogP of 5.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 46878649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).