N-[(2-chlorophenyl)methyl]imidazo[1,2-a]pyrazine-2-carboxamide

C14H11ClN4O — CID 53014558

IUPACN-[(2-chlorophenyl)methyl]imidazo[1,2-a]pyrazine-2-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1cn2ccncc2n1
InChIInChI=1S/C14H11ClN4O/c15-11-4-2-1-3-10(11)7-17-14(20)12-9-19-6-5-16-8-13(19)18-12/h1-6,8-9H,7H2,(H,17,20)
InChIKeyQOARGRWIRRVGQT-UHFFFAOYSA-N
MW286.72 g/mol
LogP2.31
Rot. Bonds3

About N-[(2-chlorophenyl)methyl]imidazo[1,2-a]pyrazine-2-carboxamide

N-[(2-chlorophenyl)methyl]imidazo[1,2-a]pyrazine-2-carboxamide (PubChem CID 53014558) has the molecular formula C14H11ClN4O and a molecular weight of 286.72 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]imidazo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]imidazo[1,2-a]pyrazine-2-carboxamide
PubChem CID53014558
Molecular FormulaC14H11ClN4O
Molecular Weight286.72 g/mol
Exact Mass286.06
IUPAC NameN-[(2-chlorophenyl)methyl]imidazo[1,2-a]pyrazine-2-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1cn2ccncc2n1
InChIInChI=1S/C14H11ClN4O/c15-11-4-2-1-3-10(11)7-17-14(20)12-9-19-6-5-16-8-13(19)18-12/h1-6,8-9H,7H2,(H,17,20)
InChIKeyQOARGRWIRRVGQT-UHFFFAOYSA-N
XLogP2.31
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]imidazo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]imidazo[1,2-a]pyrazine-2-carboxamide (CID 53014558) is N-[(2-chlorophenyl)methyl]imidazo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]imidazo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]imidazo[1,2-a]pyrazine-2-carboxamide is O=C(NCc1ccccc1Cl)c1cn2ccncc2n1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]imidazo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is QOARGRWIRRVGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O/c15-11-4-2-1-3-10(11)7-17-14(20)12-9-19-6-5-16-8-13(19)18-12/h1-6,8-9H,7H2,(H,17,20).
What are the key properties of N-[(2-chlorophenyl)methyl]imidazo[1,2-a]pyrazine-2-carboxamide?
N-[(2-chlorophenyl)methyl]imidazo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 286.72 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]imidazo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 53014558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).