2-chloro-N-cyclopropyl-4-[8-(2,2-difluoroethylamino)imidazo[1,2-a]pyrazin-2-yl]benzamide

C18H16ClF2N5O — CID 158119204

IUPAC2-chloro-N-cyclopropyl-4-[8-(2,2-difluoroethylamino)imidazo[1,2-a]pyrazin-2-yl]benzamide
SMILESO=C(NC1CC1)c1ccc(-c2cn3ccnc(NCC(F)F)c3n2)cc1Cl
InChIInChI=1S/C18H16ClF2N5O/c19-13-7-10(1-4-12(13)18(27)24-11-2-3-11)14-9-26-6-5-22-16(17(26)25-14)23-8-15(20)21/h1,4-7,9,11,15H,2-3,8H2,(H,22,23)(H,24,27)
InChIKeyPUUZFESKVABCNC-UHFFFAOYSA-N
MW391.81 g/mol
LogP3.62
Rot. Bonds6

About 2-chloro-N-cyclopropyl-4-[8-(2,2-difluoroethylamino)imidazo[1,2-a]pyrazin-2-yl]benzamide

2-chloro-N-cyclopropyl-4-[8-(2,2-difluoroethylamino)imidazo[1,2-a]pyrazin-2-yl]benzamide (PubChem CID 158119204) has the molecular formula C18H16ClF2N5O and a molecular weight of 391.81 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-4-[8-(2,2-difluoroethylamino)imidazo[1,2-a]pyrazin-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-4-[8-(2,2-difluoroethylamino)imidazo[1,2-a]pyrazin-2-yl]benzamide
PubChem CID158119204
Molecular FormulaC18H16ClF2N5O
Molecular Weight391.81 g/mol
Exact Mass391.10
IUPAC Name2-chloro-N-cyclopropyl-4-[8-(2,2-difluoroethylamino)imidazo[1,2-a]pyrazin-2-yl]benzamide
SMILESO=C(NC1CC1)c1ccc(-c2cn3ccnc(NCC(F)F)c3n2)cc1Cl
InChIInChI=1S/C18H16ClF2N5O/c19-13-7-10(1-4-12(13)18(27)24-11-2-3-11)14-9-26-6-5-22-16(17(26)25-14)23-8-15(20)21/h1,4-7,9,11,15H,2-3,8H2,(H,22,23)(H,24,27)
InChIKeyPUUZFESKVABCNC-UHFFFAOYSA-N
XLogP3.62
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.81
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-cyclopropyl-4-[3-[4-(cyclopropylcarbamoyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-6-yl]benzamide
CID 90256484
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-fluorophenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57379859
2-cyclopropyl-4-[8-(3-methylbutylamino)imidazo[1,2-a]pyrazin-2-yl]benzamide
CID 67976034
2-chloro-N-cyclopropyl-4-[6-(furan-3-yl)-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57383248
2-chloro-N-cyclopropyl-4-[8-(3-methoxypropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57380549
N-cyclopropyl-4-[8-[(4-fluorophenyl)methylamino]imidazo[1,2-a]pyrazin-6-yl]benzamide
CID 67975883
N-cyclopropyl-4-[8-[(4-methylphenyl)methylamino]imidazo[1,2-a]pyrazin-6-yl]benzamide
CID 67975704
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
4-[8-(3-aminopropylamino)-6-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyrazin-3-yl]-2-chloro-N-cyclopropylbenzamide
CID 57382825
2-chloro-N-cyclopropyl-4-[6-(4-fluorophenyl)-8-(oxolan-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57379867
4-[7-amino-4-[[(2R)-2,3-dihydroxypropyl]amino]imidazo[1,2-a]quinoxalin-1-yl]-2-chloro-N-cyclopropylbenzamide
CID 89013449

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropyl-4-[8-(2,2-difluoroethylamino)imidazo[1,2-a]pyrazin-2-yl]benzamide?
The IUPAC name of 2-chloro-N-cyclopropyl-4-[8-(2,2-difluoroethylamino)imidazo[1,2-a]pyrazin-2-yl]benzamide (CID 158119204) is 2-chloro-N-cyclopropyl-4-[8-(2,2-difluoroethylamino)imidazo[1,2-a]pyrazin-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-cyclopropyl-4-[8-(2,2-difluoroethylamino)imidazo[1,2-a]pyrazin-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-cyclopropyl-4-[8-(2,2-difluoroethylamino)imidazo[1,2-a]pyrazin-2-yl]benzamide is O=C(NC1CC1)c1ccc(-c2cn3ccnc(NCC(F)F)c3n2)cc1Cl.
What is the InChIKey of 2-chloro-N-cyclopropyl-4-[8-(2,2-difluoroethylamino)imidazo[1,2-a]pyrazin-2-yl]benzamide?
The InChIKey is PUUZFESKVABCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF2N5O/c19-13-7-10(1-4-12(13)18(27)24-11-2-3-11)14-9-26-6-5-22-16(17(26)25-14)23-8-15(20)21/h1,4-7,9,11,15H,2-3,8H2,(H,22,23)(H,24,27).
What are the key properties of 2-chloro-N-cyclopropyl-4-[8-(2,2-difluoroethylamino)imidazo[1,2-a]pyrazin-2-yl]benzamide?
2-chloro-N-cyclopropyl-4-[8-(2,2-difluoroethylamino)imidazo[1,2-a]pyrazin-2-yl]benzamide has a molecular weight of 391.81 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropyl-4-[8-(2,2-difluoroethylamino)imidazo[1,2-a]pyrazin-2-yl]benzamide is sourced from PubChem (CID 158119204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).