N-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-3,4,5-trimethoxybenzamide

C22H21N5O4 — CID 127040588

IUPACN-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2cccc(-c3cnc4c(N)nccn34)c2)cc(OC)c1OC
InChIInChI=1S/C22H21N5O4/c1-29-17-10-14(11-18(30-2)19(17)31-3)22(28)26-15-6-4-5-13(9-15)16-12-25-21-20(23)24-7-8-27(16)21/h4-12H,1-3H3,(H2,23,24)(H,26,28)
InChIKeyMIQDEEXKJHKHFR-UHFFFAOYSA-N
MW419.44 g/mol
LogP3.26
Rot. Bonds6

About N-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-3,4,5-trimethoxybenzamide

N-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-3,4,5-trimethoxybenzamide (PubChem CID 127040588) has the molecular formula C22H21N5O4 and a molecular weight of 419.44 g/mol. Its IUPAC name is N-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-3,4,5-trimethoxybenzamide
PubChem CID127040588
Molecular FormulaC22H21N5O4
Molecular Weight419.44 g/mol
Exact Mass419.16
IUPAC NameN-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2cccc(-c3cnc4c(N)nccn34)c2)cc(OC)c1OC
InChIInChI=1S/C22H21N5O4/c1-29-17-10-14(11-18(30-2)19(17)31-3)22(28)26-15-6-4-5-13(9-15)16-12-25-21-20(23)24-7-8-27(16)21/h4-12H,1-3H3,(H2,23,24)(H,26,28)
InChIKeyMIQDEEXKJHKHFR-UHFFFAOYSA-N
XLogP3.26
TPSA113.00 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-3,4,5-trimethoxybenzamide (CID 127040588) is N-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2cccc(-c3cnc4c(N)nccn34)c2)cc(OC)c1OC.
What is the InChIKey of N-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-3,4,5-trimethoxybenzamide?
The InChIKey is MIQDEEXKJHKHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O4/c1-29-17-10-14(11-18(30-2)19(17)31-3)22(28)26-15-6-4-5-13(9-15)16-12-25-21-20(23)24-7-8-27(16)21/h4-12H,1-3H3,(H2,23,24)(H,26,28).
What are the key properties of N-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-3,4,5-trimethoxybenzamide?
N-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-3,4,5-trimethoxybenzamide has a molecular weight of 419.44 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 127040588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).