3-pyridin-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine

C21H21N5O3 — CID 126472273

IUPAC3-pyridin-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine
SMILESCOc1cc(CNc2nccn3c(-c4cccnc4)cnc23)cc(OC)c1OC
InChIInChI=1S/C21H21N5O3/c1-27-17-9-14(10-18(28-2)19(17)29-3)11-24-20-21-25-13-16(26(21)8-7-23-20)15-5-4-6-22-12-15/h4-10,12-13H,11H2,1-3H3,(H,23,24)
InChIKeyAXHFYCQHRYNTEY-UHFFFAOYSA-N
MW391.43 g/mol
LogP3.43
Rot. Bonds7

About 3-pyridin-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine

3-pyridin-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine (PubChem CID 126472273) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is 3-pyridin-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-pyridin-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine
PubChem CID126472273
Molecular FormulaC21H21N5O3
Molecular Weight391.43 g/mol
Exact Mass391.16
IUPAC Name3-pyridin-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine
SMILESCOc1cc(CNc2nccn3c(-c4cccnc4)cnc23)cc(OC)c1OC
InChIInChI=1S/C21H21N5O3/c1-27-17-9-14(10-18(28-2)19(17)29-3)11-24-20-21-25-13-16(26(21)8-7-23-20)15-5-4-6-22-12-15/h4-10,12-13H,11H2,1-3H3,(H,23,24)
InChIKeyAXHFYCQHRYNTEY-UHFFFAOYSA-N
XLogP3.43
TPSA82.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 3-pyridin-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine (CID 126472273) is 3-pyridin-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 3-pyridin-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 3-pyridin-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine is COc1cc(CNc2nccn3c(-c4cccnc4)cnc23)cc(OC)c1OC.
What is the InChIKey of 3-pyridin-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is AXHFYCQHRYNTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3/c1-27-17-9-14(10-18(28-2)19(17)29-3)11-24-20-21-25-13-16(26(21)8-7-23-20)15-5-4-6-22-12-15/h4-10,12-13H,11H2,1-3H3,(H,23,24).
What are the key properties of 3-pyridin-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine?
3-pyridin-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 391.43 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 126472273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).