4-(difluoromethoxy)-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)-1,7-naphthyridin-6-yl]benzamide

C22H18F2N6O2 — CID 138589919

IUPAC4-(difluoromethoxy)-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)-1,7-naphthyridin-6-yl]benzamide
SMILESO=C(Nc1cc2cc(-c3cnc4n3CCNC4)cnc2cn1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C22H18F2N6O2/c23-22(24)32-16-3-1-13(2-4-16)21(31)29-19-8-14-7-15(9-26-17(14)10-27-19)18-11-28-20-12-25-5-6-30(18)20/h1-4,7-11,22,25H,5-6,12H2,(H,27,29,31)
InChIKeyAJHUEFGHMNWMLJ-UHFFFAOYSA-N
MW436.42 g/mol
LogP3.45
Rot. Bonds5

About 4-(difluoromethoxy)-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)-1,7-naphthyridin-6-yl]benzamide

4-(difluoromethoxy)-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)-1,7-naphthyridin-6-yl]benzamide (PubChem CID 138589919) has the molecular formula C22H18F2N6O2 and a molecular weight of 436.42 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)-1,7-naphthyridin-6-yl]benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)-1,7-naphthyridin-6-yl]benzamide
PubChem CID138589919
Molecular FormulaC22H18F2N6O2
Molecular Weight436.42 g/mol
Exact Mass436.15
IUPAC Name4-(difluoromethoxy)-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)-1,7-naphthyridin-6-yl]benzamide
SMILESO=C(Nc1cc2cc(-c3cnc4n3CCNC4)cnc2cn1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C22H18F2N6O2/c23-22(24)32-16-3-1-13(2-4-16)21(31)29-19-8-14-7-15(9-26-17(14)10-27-19)18-11-28-20-12-25-5-6-30(18)20/h1-4,7-11,22,25H,5-6,12H2,(H,27,29,31)
InChIKeyAJHUEFGHMNWMLJ-UHFFFAOYSA-N
XLogP3.45
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.42
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-(dimethylamino)ethylamino]-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)-1,7-naphthyridin-6-yl]pyridine-4-carboxamide
CID 138588973
(3R)-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)-1,7-naphthyridin-6-yl]piperidine-3-carboxamide
CID 138590972
N-[4-(difluoromethoxy)phenyl]-5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)-1H-indazole-3-carboxamide
CID 139431508
N-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)isoquinolin-3-yl]formamide
CID 166955014
N-[1-[4-(2-methylpropyl)phenyl]ethenyl]-6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)isoquinolin-3-amine
CID 166787118
N-[3-(3-methylimidazol-4-yl)-1,7-naphthyridin-6-yl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 138587338
N-[3-(5-amino-3-pyridinyl)-1,7-naphthyridin-6-yl]-4-fluorobenzamide
CID 138589953
3-(5-fluoro-3-pyridinyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
CID 103341963
N-(4-chloro-2-pyridinyl)-4-(difluoromethoxy)benzamide
CID 115627281
4-(difluoromethoxy)-N-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2,7-naphthyridin-3-yl]benzamide
CID 138587038
3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)phenol
CID 175833776
4-(difluoromethoxy)-N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]-2,7-naphthyridin-3-yl]benzamide
CID 138587059

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)-1,7-naphthyridin-6-yl]benzamide?
The IUPAC name of 4-(difluoromethoxy)-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)-1,7-naphthyridin-6-yl]benzamide (CID 138589919) is 4-(difluoromethoxy)-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)-1,7-naphthyridin-6-yl]benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)-1,7-naphthyridin-6-yl]benzamide?
The canonical SMILES for 4-(difluoromethoxy)-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)-1,7-naphthyridin-6-yl]benzamide is O=C(Nc1cc2cc(-c3cnc4n3CCNC4)cnc2cn1)c1ccc(OC(F)F)cc1.
What is the InChIKey of 4-(difluoromethoxy)-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)-1,7-naphthyridin-6-yl]benzamide?
The InChIKey is AJHUEFGHMNWMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N6O2/c23-22(24)32-16-3-1-13(2-4-16)21(31)29-19-8-14-7-15(9-26-17(14)10-27-19)18-11-28-20-12-25-5-6-30(18)20/h1-4,7-11,22,25H,5-6,12H2,(H,27,29,31).
What are the key properties of 4-(difluoromethoxy)-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)-1,7-naphthyridin-6-yl]benzamide?
4-(difluoromethoxy)-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)-1,7-naphthyridin-6-yl]benzamide has a molecular weight of 436.42 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)-1,7-naphthyridin-6-yl]benzamide is sourced from PubChem (CID 138589919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).