N-methyl-N-(4-morpholin-4-ylphenyl)-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine

C20H21N7O — CID 57392242

IUPACN-methyl-N-(4-morpholin-4-ylphenyl)-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine
SMILESCN(c1ccc(N2CCOCC2)cc1)c1ncc(-c2cn[nH]c2)n2ccnc12
InChIInChI=1S/C20H21N7O/c1-25(16-2-4-17(5-3-16)26-8-10-28-11-9-26)19-20-21-6-7-27(20)18(14-22-19)15-12-23-24-13-15/h2-7,12-14H,8-11H2,1H3,(H,23,24)
InChIKeyLKDKLEVJIHSSPG-UHFFFAOYSA-N
MW375.44 g/mol
LogP2.72
Rot. Bonds4

About N-methyl-N-(4-morpholin-4-ylphenyl)-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine

N-methyl-N-(4-morpholin-4-ylphenyl)-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 57392242) has the molecular formula C20H21N7O and a molecular weight of 375.44 g/mol. Its IUPAC name is N-methyl-N-(4-morpholin-4-ylphenyl)-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-methyl-N-(4-morpholin-4-ylphenyl)-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine
PubChem CID57392242
Molecular FormulaC20H21N7O
Molecular Weight375.44 g/mol
Exact Mass375.18
IUPAC NameN-methyl-N-(4-morpholin-4-ylphenyl)-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine
SMILESCN(c1ccc(N2CCOCC2)cc1)c1ncc(-c2cn[nH]c2)n2ccnc12
InChIInChI=1S/C20H21N7O/c1-25(16-2-4-17(5-3-16)26-8-10-28-11-9-26)19-20-21-6-7-27(20)18(14-22-19)15-12-23-24-13-15/h2-7,12-14H,8-11H2,1H3,(H,23,24)
InChIKeyLKDKLEVJIHSSPG-UHFFFAOYSA-N
XLogP2.72
TPSA74.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-morpholin-4-ylphenyl)-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of N-methyl-N-(4-morpholin-4-ylphenyl)-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine (CID 57392242) is N-methyl-N-(4-morpholin-4-ylphenyl)-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for N-methyl-N-(4-morpholin-4-ylphenyl)-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for N-methyl-N-(4-morpholin-4-ylphenyl)-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine is CN(c1ccc(N2CCOCC2)cc1)c1ncc(-c2cn[nH]c2)n2ccnc12.
What is the InChIKey of N-methyl-N-(4-morpholin-4-ylphenyl)-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is LKDKLEVJIHSSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O/c1-25(16-2-4-17(5-3-16)26-8-10-28-11-9-26)19-20-21-6-7-27(20)18(14-22-19)15-12-23-24-13-15/h2-7,12-14H,8-11H2,1H3,(H,23,24).
What are the key properties of N-methyl-N-(4-morpholin-4-ylphenyl)-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine?
N-methyl-N-(4-morpholin-4-ylphenyl)-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 375.44 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-morpholin-4-ylphenyl)-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 57392242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).