2-chloro-4-[8-(2-cyanoethylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide;2-chloro-N-cyclopropyl-4-[8-(2,2,3,3,3-pentafluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide

C38H32Cl2F5N11O2 — CID 158236123

IUPAC2-chloro-4-[8-(2-cyanoethylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide;2-chloro-N-cyclopropyl-4-[8-(2,2,3,3,3-pentafluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
SMILESN#CCCNc1nccn2c(-c3ccc(C(=O)NC4CC4)c(Cl)c3)cnc12.O=C(NC1CC1)c1ccc(-c2cnc3c(NCC(F)(F)C(F)(F)F)nccn23)cc1Cl
InChIInChI=1S/C19H15ClF5N5O.C19H17ClN6O/c20-13-7-10(1-4-12(13)17(31)29-11-2-3-11)14-8-27-16-15(26-5-6-30(14)16)28-9-18(21,22)19(23,24)25;20-15-10-12(2-5-14(15)19(27)25-13-3-4-13)16-11-24-18-17(22-7-1-6-21)23-8-9-26(16)18/h1,4-8,11H,2-3,9H2,(H,26,28)(H,29,31);2,5,8-11,13H,1,3-4,7H2,(H,22,23)(H,25,27)
InChIKeyGEZDKHWHLUYIPB-UHFFFAOYSA-N
MW840.64 g/mol
LogP7.82
Rot. Bonds12

About 2-chloro-4-[8-(2-cyanoethylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide;2-chloro-N-cyclopropyl-4-[8-(2,2,3,3,3-pentafluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide

2-chloro-4-[8-(2-cyanoethylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide;2-chloro-N-cyclopropyl-4-[8-(2,2,3,3,3-pentafluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide (PubChem CID 158236123) has the molecular formula C38H32Cl2F5N11O2 and a molecular weight of 840.64 g/mol. Its IUPAC name is 2-chloro-4-[8-(2-cyanoethylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide;2-chloro-N-cyclopropyl-4-[8-(2,2,3,3,3-pentafluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide.

Molecular Properties

Compound Name2-chloro-4-[8-(2-cyanoethylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide;2-chloro-N-cyclopropyl-4-[8-(2,2,3,3,3-pentafluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
PubChem CID158236123
Molecular FormulaC38H32Cl2F5N11O2
Molecular Weight840.64 g/mol
Exact Mass839.20
IUPAC Name2-chloro-4-[8-(2-cyanoethylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide;2-chloro-N-cyclopropyl-4-[8-(2,2,3,3,3-pentafluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
SMILESN#CCCNc1nccn2c(-c3ccc(C(=O)NC4CC4)c(Cl)c3)cnc12.O=C(NC1CC1)c1ccc(-c2cnc3c(NCC(F)(F)C(F)(F)F)nccn23)cc1Cl
InChIInChI=1S/C19H15ClF5N5O.C19H17ClN6O/c20-13-7-10(1-4-12(13)17(31)29-11-2-3-11)14-8-27-16-15(26-5-6-30(14)16)28-9-18(21,22)19(23,24)25;20-15-10-12(2-5-14(15)19(27)25-13-3-4-13)16-11-24-18-17(22-7-1-6-21)23-8-9-26(16)18/h1,4-8,11H,2-3,9H2,(H,26,28)(H,29,31);2,5,8-11,13H,1,3-4,7H2,(H,22,23)(H,25,27)
InChIKeyGEZDKHWHLUYIPB-UHFFFAOYSA-N
XLogP7.82
TPSA166.43 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500840.64
LogP ≤ 57.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 2-chloro-4-[8-(2-cyanoethylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide;2-chloro-N-cyclopropyl-4-[8-(2,2,3,3,3-pentafluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide with MolForge

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Related Compounds

2-chloro-N-cyclopropyl-4-[8-(2-hydroxyethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 123742329
2-chloro-N-cyclopropyl-4-[8-(3-methoxypropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57380549
2-chloro-N-cyclopropyl-4-[8-[(3-fluorophenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57379859
N-cyclopropyl-4-[8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57381444
N-cyclopropyl-4-[8-(3-methoxypropylamino)imidazo[1,2-a]pyrazin-3-yl]-2-methylbenzamide
CID 67975867
4-[8-(benzylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropyl-2-hydroxybenzamide
CID 67973616
N-cyclopropyl-4-[8-(propylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 118732116
N-cyclopropyl-2-methyl-4-[8-(1H-pyrazol-5-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57382091
2-chloro-N-cyclopropyl-4-[6-(3,6-dihydro-2H-pyran-4-yl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 67990784
N-cyclopropyl-2-hydroxy-4-[8-(oxan-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57381220
2-chloro-N-cyclopropyl-4-[6-(3,6-dihydro-2H-pyran-4-yl)-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57379866
4-[8-(3-aminopropylamino)-6-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyrazin-3-yl]-2-chloro-N-cyclopropylbenzamide
CID 57382825

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[8-(2-cyanoethylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide;2-chloro-N-cyclopropyl-4-[8-(2,2,3,3,3-pentafluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide?
The IUPAC name of 2-chloro-4-[8-(2-cyanoethylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide;2-chloro-N-cyclopropyl-4-[8-(2,2,3,3,3-pentafluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide (CID 158236123) is 2-chloro-4-[8-(2-cyanoethylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide;2-chloro-N-cyclopropyl-4-[8-(2,2,3,3,3-pentafluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide.
What is the SMILES notation for 2-chloro-4-[8-(2-cyanoethylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide;2-chloro-N-cyclopropyl-4-[8-(2,2,3,3,3-pentafluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide?
The canonical SMILES for 2-chloro-4-[8-(2-cyanoethylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide;2-chloro-N-cyclopropyl-4-[8-(2,2,3,3,3-pentafluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide is N#CCCNc1nccn2c(-c3ccc(C(=O)NC4CC4)c(Cl)c3)cnc12.O=C(NC1CC1)c1ccc(-c2cnc3c(NCC(F)(F)C(F)(F)F)nccn23)cc1Cl.
What is the InChIKey of 2-chloro-4-[8-(2-cyanoethylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide;2-chloro-N-cyclopropyl-4-[8-(2,2,3,3,3-pentafluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide?
The InChIKey is GEZDKHWHLUYIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF5N5O.C19H17ClN6O/c20-13-7-10(1-4-12(13)17(31)29-11-2-3-11)14-8-27-16-15(26-5-6-30(14)16)28-9-18(21,22)19(23,24)25;20-15-10-12(2-5-14(15)19(27)25-13-3-4-13)16-11-24-18-17(22-7-1-6-21)23-8-9-26(16)18/h1,4-8,11H,2-3,9H2,(H,26,28)(H,29,31);2,5,8-11,13H,1,3-4,7H2,(H,22,23)(H,25,27).
What are the key properties of 2-chloro-4-[8-(2-cyanoethylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide;2-chloro-N-cyclopropyl-4-[8-(2,2,3,3,3-pentafluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide?
2-chloro-4-[8-(2-cyanoethylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide;2-chloro-N-cyclopropyl-4-[8-(2,2,3,3,3-pentafluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide has a molecular weight of 840.64 g/mol, XLogP of 7.82, 12 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[8-(2-cyanoethylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide;2-chloro-N-cyclopropyl-4-[8-(2,2,3,3,3-pentafluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide is sourced from PubChem (CID 158236123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).