2-(4-chlorophenyl)-8-[[4-(methylamino)cyclohexyl]amino]imidazo[1,2-a]pyrazine-5-carboxamide

C20H23ClN6O — CID 46863435

IUPAC2-(4-chlorophenyl)-8-[[4-(methylamino)cyclohexyl]amino]imidazo[1,2-a]pyrazine-5-carboxamide
SMILESCNC1CCC(Nc2ncc(C(N)=O)n3cc(-c4ccc(Cl)cc4)nc23)CC1
InChIInChI=1S/C20H23ClN6O/c1-23-14-6-8-15(9-7-14)25-19-20-26-16(12-2-4-13(21)5-3-12)11-27(20)17(10-24-19)18(22)28/h2-5,10-11,14-15,23H,6-9H2,1H3,(H2,22,28)(H,24,25)
InChIKeyNVNJXYOVWGMPAO-UHFFFAOYSA-N
MW398.90 g/mol
LogP3.09
Rot. Bonds5

About 2-(4-chlorophenyl)-8-[[4-(methylamino)cyclohexyl]amino]imidazo[1,2-a]pyrazine-5-carboxamide

2-(4-chlorophenyl)-8-[[4-(methylamino)cyclohexyl]amino]imidazo[1,2-a]pyrazine-5-carboxamide (PubChem CID 46863435) has the molecular formula C20H23ClN6O and a molecular weight of 398.90 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-8-[[4-(methylamino)cyclohexyl]amino]imidazo[1,2-a]pyrazine-5-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-8-[[4-(methylamino)cyclohexyl]amino]imidazo[1,2-a]pyrazine-5-carboxamide
PubChem CID46863435
Molecular FormulaC20H23ClN6O
Molecular Weight398.90 g/mol
Exact Mass398.16
IUPAC Name2-(4-chlorophenyl)-8-[[4-(methylamino)cyclohexyl]amino]imidazo[1,2-a]pyrazine-5-carboxamide
SMILESCNC1CCC(Nc2ncc(C(N)=O)n3cc(-c4ccc(Cl)cc4)nc23)CC1
InChIInChI=1S/C20H23ClN6O/c1-23-14-6-8-15(9-7-14)25-19-20-26-16(12-2-4-13(21)5-3-12)11-27(20)17(10-24-19)18(22)28/h2-5,10-11,14-15,23H,6-9H2,1H3,(H2,22,28)(H,24,25)
InChIKeyNVNJXYOVWGMPAO-UHFFFAOYSA-N
XLogP3.09
TPSA97.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.90
LogP ≤ 53.09
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-[[4-(methylamino)cyclohexyl]amino]imidazo[1,2-a]pyrazine-5-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-8-[[4-(methylamino)cyclohexyl]amino]imidazo[1,2-a]pyrazine-5-carboxamide (CID 46863435) is 2-(4-chlorophenyl)-8-[[4-(methylamino)cyclohexyl]amino]imidazo[1,2-a]pyrazine-5-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-8-[[4-(methylamino)cyclohexyl]amino]imidazo[1,2-a]pyrazine-5-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-8-[[4-(methylamino)cyclohexyl]amino]imidazo[1,2-a]pyrazine-5-carboxamide is CNC1CCC(Nc2ncc(C(N)=O)n3cc(-c4ccc(Cl)cc4)nc23)CC1.
What is the InChIKey of 2-(4-chlorophenyl)-8-[[4-(methylamino)cyclohexyl]amino]imidazo[1,2-a]pyrazine-5-carboxamide?
The InChIKey is NVNJXYOVWGMPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN6O/c1-23-14-6-8-15(9-7-14)25-19-20-26-16(12-2-4-13(21)5-3-12)11-27(20)17(10-24-19)18(22)28/h2-5,10-11,14-15,23H,6-9H2,1H3,(H2,22,28)(H,24,25).
What are the key properties of 2-(4-chlorophenyl)-8-[[4-(methylamino)cyclohexyl]amino]imidazo[1,2-a]pyrazine-5-carboxamide?
2-(4-chlorophenyl)-8-[[4-(methylamino)cyclohexyl]amino]imidazo[1,2-a]pyrazine-5-carboxamide has a molecular weight of 398.90 g/mol, XLogP of 3.09, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-8-[[4-(methylamino)cyclohexyl]amino]imidazo[1,2-a]pyrazine-5-carboxamide is sourced from PubChem (CID 46863435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).