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

C24H23ClF3N5O2 — CID 67990784

IUPAC2-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
SMILESO=C(NC1CC1)c1ccc(-c2cnc3c(NCCC(F)(F)F)nc(C4=CCOCC4)cn23)cc1Cl
InChIInChI=1S/C24H23ClF3N5O2/c25-18-11-15(1-4-17(18)23(34)31-16-2-3-16)20-12-30-22-21(29-8-7-24(26,27)28)32-19(13-33(20)22)14-5-9-35-10-6-14/h1,4-5,11-13,16H,2-3,6-10H2,(H,29,32)(H,31,34)
InChIKeyULYXTUBELQXLKE-UHFFFAOYSA-N
MW505.93 g/mol
LogP5.11
Rot. Bonds7

About 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

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 (PubChem CID 67990784) has the molecular formula C24H23ClF3N5O2 and a molecular weight of 505.93 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID67990784
Molecular FormulaC24H23ClF3N5O2
Molecular Weight505.93 g/mol
Exact Mass505.15
IUPAC Name2-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
SMILESO=C(NC1CC1)c1ccc(-c2cnc3c(NCCC(F)(F)F)nc(C4=CCOCC4)cn23)cc1Cl
InChIInChI=1S/C24H23ClF3N5O2/c25-18-11-15(1-4-17(18)23(34)31-16-2-3-16)20-12-30-22-21(29-8-7-24(26,27)28)32-19(13-33(20)22)14-5-9-35-10-6-14/h1,4-5,11-13,16H,2-3,6-10H2,(H,29,32)(H,31,34)
InChIKeyULYXTUBELQXLKE-UHFFFAOYSA-N
XLogP5.11
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.93
LogP ≤ 55.11
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
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
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-(2H-pyrrol-3-yl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 158956319
N-cyclopropyl-4-[6-(3,6-dihydro-2H-pyran-4-yl)-8-[(1-methyl-5-oxopyrrolidin-3-yl)methylamino]imidazo[1,2-a]pyrazin-3-yl]-2-methylbenzamide
CID 57383042
2-chloro-N-cyclopropyl-4-[6-(4-fluorophenyl)-8-(oxolan-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57379867
4-[8-(3-aminopropylamino)-6-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyrazin-3-yl]-2-chloro-N-cyclopropylbenzamide
CID 57382825
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-(furan-3-yl)-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57383248
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
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-[6-[4-(dimethylamino)phenyl]-8-[(2-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57380095

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(NC1CC1)c1ccc(-c2cnc3c(NCCC(F)(F)F)nc(C4=CCOCC4)cn23)cc1Cl.
What is the InChIKey of 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?
The InChIKey is ULYXTUBELQXLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClF3N5O2/c25-18-11-15(1-4-17(18)23(34)31-16-2-3-16)20-12-30-22-21(29-8-7-24(26,27)28)32-19(13-33(20)22)14-5-9-35-10-6-14/h1,4-5,11-13,16H,2-3,6-10H2,(H,29,32)(H,31,34).
What are the key properties of 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?
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 has a molecular weight of 505.93 g/mol, XLogP of 5.11, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 67990784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).