N-cyclopropyl-2-fluoro-4-[6-(2H-pyrrol-3-yl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide

C23H20F4N6O — CID 158956319

IUPACN-cyclopropyl-2-fluoro-4-[6-(2H-pyrrol-3-yl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
SMILESO=C(NC1CC1)c1ccc(-c2cnc3c(NCCC(F)(F)F)nc(C4=CC=NC4)cn23)cc1F
InChIInChI=1S/C23H20F4N6O/c24-17-9-13(1-4-16(17)22(34)31-15-2-3-15)19-11-30-21-20(29-8-6-23(25,26)27)32-18(12-33(19)21)14-5-7-28-10-14/h1,4-5,7,9,11-12,15H,2-3,6,8,10H2,(H,29,32)(H,31,34)
InChIKeyJMAWLKAMWJMJPA-UHFFFAOYSA-N
MW472.45 g/mol
LogP4.26
Rot. Bonds7

About N-cyclopropyl-2-fluoro-4-[6-(2H-pyrrol-3-yl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide

N-cyclopropyl-2-fluoro-4-[6-(2H-pyrrol-3-yl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide (PubChem CID 158956319) has the molecular formula C23H20F4N6O and a molecular weight of 472.45 g/mol. Its IUPAC name is N-cyclopropyl-2-fluoro-4-[6-(2H-pyrrol-3-yl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-fluoro-4-[6-(2H-pyrrol-3-yl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
PubChem CID158956319
Molecular FormulaC23H20F4N6O
Molecular Weight472.45 g/mol
Exact Mass472.16
IUPAC NameN-cyclopropyl-2-fluoro-4-[6-(2H-pyrrol-3-yl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
SMILESO=C(NC1CC1)c1ccc(-c2cnc3c(NCCC(F)(F)F)nc(C4=CC=NC4)cn23)cc1F
InChIInChI=1S/C23H20F4N6O/c24-17-9-13(1-4-16(17)22(34)31-15-2-3-15)19-11-30-21-20(29-8-6-23(25,26)27)32-18(12-33(19)21)14-5-7-28-10-14/h1,4-5,7,9,11-12,15H,2-3,6,8,10H2,(H,29,32)(H,31,34)
InChIKeyJMAWLKAMWJMJPA-UHFFFAOYSA-N
XLogP4.26
TPSA83.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.45
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-4-[6-(3,6-dihydro-2H-pyran-4-yl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]-2-fluorobenzamide
CID 67974408
N-cyclopropyl-4-[6-[4-fluoro-3-(hydroxymethyl)phenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]-2-methylbenzamide
CID 57380326
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-methyl-4-[6-(1-oxo-3,6-dihydro-2H-thiopyran-4-yl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 67973656
N-cyclopropyl-2-fluoro-4-[6-(4-fluorophenyl)-8-[(2-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 67976613
N-cyclopropyl-2-fluoro-4-[6-[2-(hydroxymethyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 67976902
N-cyclopropyl-4-[8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57381444
N-cyclopropyl-4-[8-[(2-hydroxy-2-methylpropyl)amino]-6-phenylimidazo[1,2-a]pyrazin-3-yl]-2-methylbenzamide
CID 57380552
4-(8-amino-6-bromoimidazo[1,2-a]pyridin-3-yl)-N-cyclopropyl-2-methylbenzamide;4-[6-bromo-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-methylbenzamide
CID 159768311
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-(3,6-dihydro-2H-pyran-4-yl)-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57379866
3-[3-chloro-4-[(cyclopropylamino)methyl]phenyl]-6-pyridin-4-yl-N-(3,3,3-trifluoropropyl)imidazo[1,2-a]pyrazin-8-amine
CID 123765399

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-fluoro-4-[6-(2H-pyrrol-3-yl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide?
The IUPAC name of N-cyclopropyl-2-fluoro-4-[6-(2H-pyrrol-3-yl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide (CID 158956319) is N-cyclopropyl-2-fluoro-4-[6-(2H-pyrrol-3-yl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-2-fluoro-4-[6-(2H-pyrrol-3-yl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide?
The canonical SMILES for N-cyclopropyl-2-fluoro-4-[6-(2H-pyrrol-3-yl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide is O=C(NC1CC1)c1ccc(-c2cnc3c(NCCC(F)(F)F)nc(C4=CC=NC4)cn23)cc1F.
What is the InChIKey of N-cyclopropyl-2-fluoro-4-[6-(2H-pyrrol-3-yl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide?
The InChIKey is JMAWLKAMWJMJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F4N6O/c24-17-9-13(1-4-16(17)22(34)31-15-2-3-15)19-11-30-21-20(29-8-6-23(25,26)27)32-18(12-33(19)21)14-5-7-28-10-14/h1,4-5,7,9,11-12,15H,2-3,6,8,10H2,(H,29,32)(H,31,34).
What are the key properties of N-cyclopropyl-2-fluoro-4-[6-(2H-pyrrol-3-yl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide?
N-cyclopropyl-2-fluoro-4-[6-(2H-pyrrol-3-yl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide has a molecular weight of 472.45 g/mol, XLogP of 4.26, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-fluoro-4-[6-(2H-pyrrol-3-yl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide is sourced from PubChem (CID 158956319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).