8-(3-aminopropylamino)-2-(4-chlorophenyl)imidazo[1,2-a]pyrazine-5-carboxamide

C16H17ClN6O — CID 46863317

IUPAC8-(3-aminopropylamino)-2-(4-chlorophenyl)imidazo[1,2-a]pyrazine-5-carboxamide
SMILESNCCCNc1ncc(C(N)=O)n2cc(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C16H17ClN6O/c17-11-4-2-10(3-5-11)12-9-23-13(14(19)24)8-21-15(16(23)22-12)20-7-1-6-18/h2-5,8-9H,1,6-7,18H2,(H2,19,24)(H,20,21)
InChIKeyKMDZJODRFCWAPG-UHFFFAOYSA-N
MW344.81 g/mol
LogP1.91
Rot. Bonds6

About 8-(3-aminopropylamino)-2-(4-chlorophenyl)imidazo[1,2-a]pyrazine-5-carboxamide

8-(3-aminopropylamino)-2-(4-chlorophenyl)imidazo[1,2-a]pyrazine-5-carboxamide (PubChem CID 46863317) has the molecular formula C16H17ClN6O and a molecular weight of 344.81 g/mol. Its IUPAC name is 8-(3-aminopropylamino)-2-(4-chlorophenyl)imidazo[1,2-a]pyrazine-5-carboxamide.

Molecular Properties

Compound Name8-(3-aminopropylamino)-2-(4-chlorophenyl)imidazo[1,2-a]pyrazine-5-carboxamide
PubChem CID46863317
Molecular FormulaC16H17ClN6O
Molecular Weight344.81 g/mol
Exact Mass344.12
IUPAC Name8-(3-aminopropylamino)-2-(4-chlorophenyl)imidazo[1,2-a]pyrazine-5-carboxamide
SMILESNCCCNc1ncc(C(N)=O)n2cc(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C16H17ClN6O/c17-11-4-2-10(3-5-11)12-9-23-13(14(19)24)8-21-15(16(23)22-12)20-7-1-6-18/h2-5,8-9H,1,6-7,18H2,(H2,19,24)(H,20,21)
InChIKeyKMDZJODRFCWAPG-UHFFFAOYSA-N
XLogP1.91
TPSA111.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.81
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(3-aminopropylamino)-2-(4-chlorophenyl)imidazo[1,2-a]pyrazine-5-carboxamide?
The IUPAC name of 8-(3-aminopropylamino)-2-(4-chlorophenyl)imidazo[1,2-a]pyrazine-5-carboxamide (CID 46863317) is 8-(3-aminopropylamino)-2-(4-chlorophenyl)imidazo[1,2-a]pyrazine-5-carboxamide.
What is the SMILES notation for 8-(3-aminopropylamino)-2-(4-chlorophenyl)imidazo[1,2-a]pyrazine-5-carboxamide?
The canonical SMILES for 8-(3-aminopropylamino)-2-(4-chlorophenyl)imidazo[1,2-a]pyrazine-5-carboxamide is NCCCNc1ncc(C(N)=O)n2cc(-c3ccc(Cl)cc3)nc12.
What is the InChIKey of 8-(3-aminopropylamino)-2-(4-chlorophenyl)imidazo[1,2-a]pyrazine-5-carboxamide?
The InChIKey is KMDZJODRFCWAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN6O/c17-11-4-2-10(3-5-11)12-9-23-13(14(19)24)8-21-15(16(23)22-12)20-7-1-6-18/h2-5,8-9H,1,6-7,18H2,(H2,19,24)(H,20,21).
What are the key properties of 8-(3-aminopropylamino)-2-(4-chlorophenyl)imidazo[1,2-a]pyrazine-5-carboxamide?
8-(3-aminopropylamino)-2-(4-chlorophenyl)imidazo[1,2-a]pyrazine-5-carboxamide has a molecular weight of 344.81 g/mol, XLogP of 1.91, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-aminopropylamino)-2-(4-chlorophenyl)imidazo[1,2-a]pyrazine-5-carboxamide is sourced from PubChem (CID 46863317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).