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

C18H19ClN6O — CID 46863199

IUPAC2-(4-chlorophenyl)-8-(piperidin-4-ylamino)imidazo[1,2-a]pyrazine-5-carboxamide
SMILESNC(=O)c1cnc(NC2CCNCC2)c2nc(-c3ccc(Cl)cc3)cn12
InChIInChI=1S/C18H19ClN6O/c19-12-3-1-11(2-4-12)14-10-25-15(16(20)26)9-22-17(18(25)24-14)23-13-5-7-21-8-6-13/h1-4,9-10,13,21H,5-8H2,(H2,20,26)(H,22,23)
InChIKeyUIBANLKKSQACJD-UHFFFAOYSA-N
MW370.84 g/mol
LogP2.31
Rot. Bonds4

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

2-(4-chlorophenyl)-8-(piperidin-4-ylamino)imidazo[1,2-a]pyrazine-5-carboxamide (PubChem CID 46863199) has the molecular formula C18H19ClN6O and a molecular weight of 370.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-8-(piperidin-4-ylamino)imidazo[1,2-a]pyrazine-5-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-8-(piperidin-4-ylamino)imidazo[1,2-a]pyrazine-5-carboxamide
PubChem CID46863199
Molecular FormulaC18H19ClN6O
Molecular Weight370.84 g/mol
Exact Mass370.13
IUPAC Name2-(4-chlorophenyl)-8-(piperidin-4-ylamino)imidazo[1,2-a]pyrazine-5-carboxamide
SMILESNC(=O)c1cnc(NC2CCNCC2)c2nc(-c3ccc(Cl)cc3)cn12
InChIInChI=1S/C18H19ClN6O/c19-12-3-1-11(2-4-12)14-10-25-15(16(20)26)9-22-17(18(25)24-14)23-13-5-7-21-8-6-13/h1-4,9-10,13,21H,5-8H2,(H2,20,26)(H,22,23)
InChIKeyUIBANLKKSQACJD-UHFFFAOYSA-N
XLogP2.31
TPSA97.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-8-(piperidin-4-ylamino)imidazo[1,2-a]pyrazine-5-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-8-(piperidin-4-ylamino)imidazo[1,2-a]pyrazine-5-carboxamide (CID 46863199) is 2-(4-chlorophenyl)-8-(piperidin-4-ylamino)imidazo[1,2-a]pyrazine-5-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-8-(piperidin-4-ylamino)imidazo[1,2-a]pyrazine-5-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-8-(piperidin-4-ylamino)imidazo[1,2-a]pyrazine-5-carboxamide is NC(=O)c1cnc(NC2CCNCC2)c2nc(-c3ccc(Cl)cc3)cn12.
What is the InChIKey of 2-(4-chlorophenyl)-8-(piperidin-4-ylamino)imidazo[1,2-a]pyrazine-5-carboxamide?
The InChIKey is UIBANLKKSQACJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN6O/c19-12-3-1-11(2-4-12)14-10-25-15(16(20)26)9-22-17(18(25)24-14)23-13-5-7-21-8-6-13/h1-4,9-10,13,21H,5-8H2,(H2,20,26)(H,22,23).
What are the key properties of 2-(4-chlorophenyl)-8-(piperidin-4-ylamino)imidazo[1,2-a]pyrazine-5-carboxamide?
2-(4-chlorophenyl)-8-(piperidin-4-ylamino)imidazo[1,2-a]pyrazine-5-carboxamide has a molecular weight of 370.84 g/mol, XLogP of 2.31, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-8-(piperidin-4-ylamino)imidazo[1,2-a]pyrazine-5-carboxamide is sourced from PubChem (CID 46863199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).