N-(1,3-benzodioxol-5-ylmethyl)-3-(5-methoxy-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine

C20H17N5O3 — CID 126472407

IUPACN-(1,3-benzodioxol-5-ylmethyl)-3-(5-methoxy-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine
SMILESCOc1cncc(-c2cnc3c(NCc4ccc5c(c4)OCO5)nccn23)c1
InChIInChI=1S/C20H17N5O3/c1-26-15-7-14(9-21-10-15)16-11-24-20-19(22-4-5-25(16)20)23-8-13-2-3-17-18(6-13)28-12-27-17/h2-7,9-11H,8,12H2,1H3,(H,22,23)
InChIKeyWWDKQLRIVNJSPV-UHFFFAOYSA-N
MW375.39 g/mol
LogP3.14
Rot. Bonds5

About N-(1,3-benzodioxol-5-ylmethyl)-3-(5-methoxy-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine

N-(1,3-benzodioxol-5-ylmethyl)-3-(5-methoxy-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 126472407) has the molecular formula C20H17N5O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-3-(5-methoxy-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-3-(5-methoxy-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine
PubChem CID126472407
Molecular FormulaC20H17N5O3
Molecular Weight375.39 g/mol
Exact Mass375.13
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-3-(5-methoxy-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine
SMILESCOc1cncc(-c2cnc3c(NCc4ccc5c(c4)OCO5)nccn23)c1
InChIInChI=1S/C20H17N5O3/c1-26-15-7-14(9-21-10-15)16-11-24-20-19(22-4-5-25(16)20)23-8-13-2-3-17-18(6-13)28-12-27-17/h2-7,9-11H,8,12H2,1H3,(H,22,23)
InChIKeyWWDKQLRIVNJSPV-UHFFFAOYSA-N
XLogP3.14
TPSA82.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-(1,3-benzodioxol-5-ylmethylamino)-1-(4-methoxyphenyl)pyrazin-2-one
CID 46337486
N-[(3-chlorophenyl)methyl]-3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 25205191
N-(1,3-benzodioxol-5-ylmethyl)-2-imidazol-1-yl-5-(4-methoxyphenyl)pyrimidin-4-amine;hydrochloride
CID 22402342
5-(1,3-benzodioxol-5-yl)-N-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-amine
CID 1096522
5-[3-(aminomethyl)phenyl]-N-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine
CID 126472247
3-(4-fluorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine
CID 126472520
3-[[[3-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
CID 135931682
5-[2-(dimethylamino)phenyl]-N-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine
CID 126475211
3-[3-(1,3-benzodioxol-5-ylmethylamino)-1H-1,2,4-triazol-5-yl]-N-(3,5-dimethoxyphenyl)pyridin-2-amine
CID 11224618
N-(pyridin-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine
CID 126472930
N-(1,3-benzodioxol-5-ylmethyl)-6,8-dimethoxyquinazolin-4-amine
CID 10065791
N-(1,3-benzodioxol-5-ylmethyl)-5-(4-methoxyphenyl)pyridine-3-carboxamide
CID 53010769

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-(5-methoxy-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-(5-methoxy-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine (CID 126472407) is N-(1,3-benzodioxol-5-ylmethyl)-3-(5-methoxy-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-3-(5-methoxy-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-3-(5-methoxy-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine is COc1cncc(-c2cnc3c(NCc4ccc5c(c4)OCO5)nccn23)c1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-3-(5-methoxy-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is WWDKQLRIVNJSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3/c1-26-15-7-14(9-21-10-15)16-11-24-20-19(22-4-5-25(16)20)23-8-13-2-3-17-18(6-13)28-12-27-17/h2-7,9-11H,8,12H2,1H3,(H,22,23).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-3-(5-methoxy-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine?
N-(1,3-benzodioxol-5-ylmethyl)-3-(5-methoxy-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 375.39 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-3-(5-methoxy-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 126472407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).