2-chloro-N-cyclopropyl-4-[8-[(3-fluorophenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide

C23H19ClFN5O — CID 57379859

IUPAC2-chloro-N-cyclopropyl-4-[8-[(3-fluorophenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide
SMILESO=C(NC1CC1)c1ccc(-c2cnc3c(NCc4cccc(F)c4)nccn23)cc1Cl
InChIInChI=1S/C23H19ClFN5O/c24-19-11-15(4-7-18(19)23(31)29-17-5-6-17)20-13-28-22-21(26-8-9-30(20)22)27-12-14-2-1-3-16(25)10-14/h1-4,7-11,13,17H,5-6,12H2,(H,26,27)(H,29,31)
InChIKeyRQFXAZGYLRTVPG-UHFFFAOYSA-N
MW435.89 g/mol
LogP4.69
Rot. Bonds6

About 2-chloro-N-cyclopropyl-4-[8-[(3-fluorophenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide

2-chloro-N-cyclopropyl-4-[8-[(3-fluorophenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide (PubChem CID 57379859) has the molecular formula C23H19ClFN5O and a molecular weight of 435.89 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-4-[8-[(3-fluorophenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-4-[8-[(3-fluorophenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide
PubChem CID57379859
Molecular FormulaC23H19ClFN5O
Molecular Weight435.89 g/mol
Exact Mass435.13
IUPAC Name2-chloro-N-cyclopropyl-4-[8-[(3-fluorophenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide
SMILESO=C(NC1CC1)c1ccc(-c2cnc3c(NCc4cccc(F)c4)nccn23)cc1Cl
InChIInChI=1S/C23H19ClFN5O/c24-19-11-15(4-7-18(19)23(31)29-17-5-6-17)20-13-28-22-21(26-8-9-30(20)22)27-12-14-2-1-3-16(25)10-14/h1-4,7-11,13,17H,5-6,12H2,(H,26,27)(H,29,31)
InChIKeyRQFXAZGYLRTVPG-UHFFFAOYSA-N
XLogP4.69
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.89
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-cyclopropyl-4-[8-(2-hydroxyethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 123742329
4-[8-(benzylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropyl-2-hydroxybenzamide
CID 67973616
2-chloro-N-cyclopropyl-4-[8-(3-methoxypropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57380549
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
N-cyclopropyl-2-methyl-4-[8-(1H-pyrazol-5-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57382091
3-(3-fluorophenyl)-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine
CID 46241678
N-cyclopropyl-4-[8-(3-methoxypropylamino)imidazo[1,2-a]pyrazin-3-yl]-2-methylbenzamide
CID 67975867
2-chloro-N-cyclopropyl-4-[6-(4-fluorophenyl)-8-(oxolan-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57379867
2-chloro-N-cyclopropyl-4-[6-[4-(dimethylamino)phenyl]-8-[(2-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57380095
2-chloro-N-cyclopropyl-4-[8-(2,2-difluoroethylamino)imidazo[1,2-a]pyrazin-2-yl]benzamide
CID 158119204
2-chloro-4-[7-cyano-4-(pyridin-3-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide
CID 68761298
N-cyclopropyl-2-hydroxy-4-[8-(oxan-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57381220

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropyl-4-[8-[(3-fluorophenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide?
The IUPAC name of 2-chloro-N-cyclopropyl-4-[8-[(3-fluorophenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide (CID 57379859) is 2-chloro-N-cyclopropyl-4-[8-[(3-fluorophenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide.
What is the SMILES notation for 2-chloro-N-cyclopropyl-4-[8-[(3-fluorophenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide?
The canonical SMILES for 2-chloro-N-cyclopropyl-4-[8-[(3-fluorophenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide is O=C(NC1CC1)c1ccc(-c2cnc3c(NCc4cccc(F)c4)nccn23)cc1Cl.
What is the InChIKey of 2-chloro-N-cyclopropyl-4-[8-[(3-fluorophenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide?
The InChIKey is RQFXAZGYLRTVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFN5O/c24-19-11-15(4-7-18(19)23(31)29-17-5-6-17)20-13-28-22-21(26-8-9-30(20)22)27-12-14-2-1-3-16(25)10-14/h1-4,7-11,13,17H,5-6,12H2,(H,26,27)(H,29,31).
What are the key properties of 2-chloro-N-cyclopropyl-4-[8-[(3-fluorophenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide?
2-chloro-N-cyclopropyl-4-[8-[(3-fluorophenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide has a molecular weight of 435.89 g/mol, XLogP of 4.69, 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-[(3-fluorophenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide is sourced from PubChem (CID 57379859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).