N-cyclopropyl-4-[6-(2-fluoro-3-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]benzamide

C23H19FN4O2 — CID 155545561

IUPACN-cyclopropyl-4-[6-(2-fluoro-3-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]benzamide
SMILESCOc1cccc(-c2cn3c(-c4ccc(C(=O)NC5CC5)cc4)cnc3cn2)c1F
InChIInChI=1S/C23H19FN4O2/c1-30-20-4-2-3-17(22(20)24)18-13-28-19(11-26-21(28)12-25-18)14-5-7-15(8-6-14)23(29)27-16-9-10-16/h2-8,11-13,16H,9-10H2,1H3,(H,27,29)
InChIKeyOCPVJYXGSDFYKD-UHFFFAOYSA-N
MW402.43 g/mol
LogP4.10
Rot. Bonds5

About N-cyclopropyl-4-[6-(2-fluoro-3-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]benzamide

N-cyclopropyl-4-[6-(2-fluoro-3-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]benzamide (PubChem CID 155545561) has the molecular formula C23H19FN4O2 and a molecular weight of 402.43 g/mol. Its IUPAC name is N-cyclopropyl-4-[6-(2-fluoro-3-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[6-(2-fluoro-3-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]benzamide
PubChem CID155545561
Molecular FormulaC23H19FN4O2
Molecular Weight402.43 g/mol
Exact Mass402.15
IUPAC NameN-cyclopropyl-4-[6-(2-fluoro-3-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]benzamide
SMILESCOc1cccc(-c2cn3c(-c4ccc(C(=O)NC5CC5)cc4)cnc3cn2)c1F
InChIInChI=1S/C23H19FN4O2/c1-30-20-4-2-3-17(22(20)24)18-13-28-19(11-26-21(28)12-25-18)14-5-7-15(8-6-14)23(29)27-16-9-10-16/h2-8,11-13,16H,9-10H2,1H3,(H,27,29)
InChIKeyOCPVJYXGSDFYKD-UHFFFAOYSA-N
XLogP4.10
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[6-(2-fluoro-3-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-[6-(2-fluoro-3-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]benzamide (CID 155545561) is N-cyclopropyl-4-[6-(2-fluoro-3-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[6-(2-fluoro-3-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[6-(2-fluoro-3-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]benzamide is COc1cccc(-c2cn3c(-c4ccc(C(=O)NC5CC5)cc4)cnc3cn2)c1F.
What is the InChIKey of N-cyclopropyl-4-[6-(2-fluoro-3-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]benzamide?
The InChIKey is OCPVJYXGSDFYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O2/c1-30-20-4-2-3-17(22(20)24)18-13-28-19(11-26-21(28)12-25-18)14-5-7-15(8-6-14)23(29)27-16-9-10-16/h2-8,11-13,16H,9-10H2,1H3,(H,27,29).
What are the key properties of N-cyclopropyl-4-[6-(2-fluoro-3-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]benzamide?
N-cyclopropyl-4-[6-(2-fluoro-3-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]benzamide has a molecular weight of 402.43 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[6-(2-fluoro-3-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]benzamide is sourced from PubChem (CID 155545561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).