N-[3-(diethylamino)propyl]-8-(4-methoxyphenyl)imidazo[1,2-a]pyrazine-2-carboxamide

C21H27N5O2 — CID 53189123

IUPACN-[3-(diethylamino)propyl]-8-(4-methoxyphenyl)imidazo[1,2-a]pyrazine-2-carboxamide
SMILESCCN(CC)CCCNC(=O)c1cn2ccnc(-c3ccc(OC)cc3)c2n1
InChIInChI=1S/C21H27N5O2/c1-4-25(5-2)13-6-11-23-21(27)18-15-26-14-12-22-19(20(26)24-18)16-7-9-17(28-3)10-8-16/h7-10,12,14-15H,4-6,11,13H2,1-3H3,(H,23,27)
InChIKeyRMLKJKDREZZKIX-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.87
Rot. Bonds9

About N-[3-(diethylamino)propyl]-8-(4-methoxyphenyl)imidazo[1,2-a]pyrazine-2-carboxamide

N-[3-(diethylamino)propyl]-8-(4-methoxyphenyl)imidazo[1,2-a]pyrazine-2-carboxamide (PubChem CID 53189123) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-8-(4-methoxyphenyl)imidazo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-8-(4-methoxyphenyl)imidazo[1,2-a]pyrazine-2-carboxamide
PubChem CID53189123
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC NameN-[3-(diethylamino)propyl]-8-(4-methoxyphenyl)imidazo[1,2-a]pyrazine-2-carboxamide
SMILESCCN(CC)CCCNC(=O)c1cn2ccnc(-c3ccc(OC)cc3)c2n1
InChIInChI=1S/C21H27N5O2/c1-4-25(5-2)13-6-11-23-21(27)18-15-26-14-12-22-19(20(26)24-18)16-7-9-17(28-3)10-8-16/h7-10,12,14-15H,4-6,11,13H2,1-3H3,(H,23,27)
InChIKeyRMLKJKDREZZKIX-UHFFFAOYSA-N
XLogP2.87
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

8-(4-methoxyphenyl)-N-methylimidazo[1,2-a]pyrazine-2-carboxamide
CID 53188903
8-(4-methoxyphenyl)imidazo[1,2-a]pyrazine-2-carboxylic acid
CID 90487994
8-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyrazine-2-carboxamide
CID 53188926
8-(4-methoxyphenyl)-N-propan-2-ylimidazo[1,2-a]pyrazine-2-carboxamide
CID 53188902
8-(4-methoxyphenyl)-N-(pyrazin-2-ylmethyl)imidazo[1,2-a]pyrazine-2-carboxamide
CID 53188965
N-[2-(diethylamino)ethyl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide
CID 19273294
N-[3-(diethylamino)propyl]-2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 40509101
N-[3-(diethylamino)propyl]-2-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]acetamide
CID 16879115
1-[3-(diethylamino)propyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108901941
6-amino-N-[3-(diethylamino)propyl]pyridine-2-carboxamide
CID 62238759
N-[2-(diethylamino)ethyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19508966
N-[3-(diethylamino)propyl]-2,6-dimethoxybenzamide
CID 3301412

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-8-(4-methoxyphenyl)imidazo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of N-[3-(diethylamino)propyl]-8-(4-methoxyphenyl)imidazo[1,2-a]pyrazine-2-carboxamide (CID 53189123) is N-[3-(diethylamino)propyl]-8-(4-methoxyphenyl)imidazo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-8-(4-methoxyphenyl)imidazo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-8-(4-methoxyphenyl)imidazo[1,2-a]pyrazine-2-carboxamide is CCN(CC)CCCNC(=O)c1cn2ccnc(-c3ccc(OC)cc3)c2n1.
What is the InChIKey of N-[3-(diethylamino)propyl]-8-(4-methoxyphenyl)imidazo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is RMLKJKDREZZKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-4-25(5-2)13-6-11-23-21(27)18-15-26-14-12-22-19(20(26)24-18)16-7-9-17(28-3)10-8-16/h7-10,12,14-15H,4-6,11,13H2,1-3H3,(H,23,27).
What are the key properties of N-[3-(diethylamino)propyl]-8-(4-methoxyphenyl)imidazo[1,2-a]pyrazine-2-carboxamide?
N-[3-(diethylamino)propyl]-8-(4-methoxyphenyl)imidazo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 2.87, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-8-(4-methoxyphenyl)imidazo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 53189123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).