N-(1-benzylpyrrolidin-3-yl)-6-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine

C26H29N5O3 — CID 10139399

IUPACN-(1-benzylpyrrolidin-3-yl)-6-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine
SMILESCOc1cc(-c2cn3ccnc3c(NC3CCN(Cc4ccccc4)C3)n2)cc(OC)c1OC
InChIInChI=1S/C26H29N5O3/c1-32-22-13-19(14-23(33-2)24(22)34-3)21-17-31-12-10-27-26(31)25(29-21)28-20-9-11-30(16-20)15-18-7-5-4-6-8-18/h4-8,10,12-14,17,20H,9,11,15-16H2,1-3H3,(H,28,29)
InChIKeyBJAQXAOXVMIYAI-UHFFFAOYSA-N
MW459.55 g/mol
LogP4.11
Rot. Bonds8

About N-(1-benzylpyrrolidin-3-yl)-6-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine

N-(1-benzylpyrrolidin-3-yl)-6-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 10139399) has the molecular formula C26H29N5O3 and a molecular weight of 459.55 g/mol. Its IUPAC name is N-(1-benzylpyrrolidin-3-yl)-6-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-(1-benzylpyrrolidin-3-yl)-6-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine
PubChem CID10139399
Molecular FormulaC26H29N5O3
Molecular Weight459.55 g/mol
Exact Mass459.23
IUPAC NameN-(1-benzylpyrrolidin-3-yl)-6-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine
SMILESCOc1cc(-c2cn3ccnc3c(NC3CCN(Cc4ccccc4)C3)n2)cc(OC)c1OC
InChIInChI=1S/C26H29N5O3/c1-32-22-13-19(14-23(33-2)24(22)34-3)21-17-31-12-10-27-26(31)25(29-21)28-20-9-11-30(16-20)15-18-7-5-4-6-8-18/h4-8,10,12-14,17,20H,9,11,15-16H2,1-3H3,(H,28,29)
InChIKeyBJAQXAOXVMIYAI-UHFFFAOYSA-N
XLogP4.11
TPSA73.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrrolidin-3-yl)-6-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of N-(1-benzylpyrrolidin-3-yl)-6-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine (CID 10139399) is N-(1-benzylpyrrolidin-3-yl)-6-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for N-(1-benzylpyrrolidin-3-yl)-6-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for N-(1-benzylpyrrolidin-3-yl)-6-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine is COc1cc(-c2cn3ccnc3c(NC3CCN(Cc4ccccc4)C3)n2)cc(OC)c1OC.
What is the InChIKey of N-(1-benzylpyrrolidin-3-yl)-6-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is BJAQXAOXVMIYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O3/c1-32-22-13-19(14-23(33-2)24(22)34-3)21-17-31-12-10-27-26(31)25(29-21)28-20-9-11-30(16-20)15-18-7-5-4-6-8-18/h4-8,10,12-14,17,20H,9,11,15-16H2,1-3H3,(H,28,29).
What are the key properties of N-(1-benzylpyrrolidin-3-yl)-6-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine?
N-(1-benzylpyrrolidin-3-yl)-6-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 459.55 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrrolidin-3-yl)-6-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 10139399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).