N-cyclopropyl-2-methyl-4-[6-pyrimidin-5-yl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide

C24H22F3N7O — CID 57382736

IUPACN-cyclopropyl-2-methyl-4-[6-pyrimidin-5-yl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
SMILESCc1cc(-c2cnc3c(NCCC(F)(F)F)nc(-c4cncnc4)cn23)ccc1C(=O)NC1CC1
InChIInChI=1S/C24H22F3N7O/c1-14-8-15(2-5-18(14)23(35)32-17-3-4-17)20-11-31-22-21(30-7-6-24(25,26)27)33-19(12-34(20)22)16-9-28-13-29-10-16/h2,5,8-13,17H,3-4,6-7H2,1H3,(H,30,33)(H,32,35)
InChIKeyOMPRVRXHYXCYRI-UHFFFAOYSA-N
MW481.48 g/mol
LogP4.42
Rot. Bonds7

About N-cyclopropyl-2-methyl-4-[6-pyrimidin-5-yl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide

N-cyclopropyl-2-methyl-4-[6-pyrimidin-5-yl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide (PubChem CID 57382736) has the molecular formula C24H22F3N7O and a molecular weight of 481.48 g/mol. Its IUPAC name is N-cyclopropyl-2-methyl-4-[6-pyrimidin-5-yl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-methyl-4-[6-pyrimidin-5-yl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
PubChem CID57382736
Molecular FormulaC24H22F3N7O
Molecular Weight481.48 g/mol
Exact Mass481.18
IUPAC NameN-cyclopropyl-2-methyl-4-[6-pyrimidin-5-yl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
SMILESCc1cc(-c2cnc3c(NCCC(F)(F)F)nc(-c4cncnc4)cn23)ccc1C(=O)NC1CC1
InChIInChI=1S/C24H22F3N7O/c1-14-8-15(2-5-18(14)23(35)32-17-3-4-17)20-11-31-22-21(30-7-6-24(25,26)27)33-19(12-34(20)22)16-9-28-13-29-10-16/h2,5,8-13,17H,3-4,6-7H2,1H3,(H,30,33)(H,32,35)
InChIKeyOMPRVRXHYXCYRI-UHFFFAOYSA-N
XLogP4.42
TPSA97.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.48
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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CID 66603863

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-methyl-4-[6-pyrimidin-5-yl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide?
The IUPAC name of N-cyclopropyl-2-methyl-4-[6-pyrimidin-5-yl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide (CID 57382736) is N-cyclopropyl-2-methyl-4-[6-pyrimidin-5-yl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-2-methyl-4-[6-pyrimidin-5-yl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide?
The canonical SMILES for N-cyclopropyl-2-methyl-4-[6-pyrimidin-5-yl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide is Cc1cc(-c2cnc3c(NCCC(F)(F)F)nc(-c4cncnc4)cn23)ccc1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-methyl-4-[6-pyrimidin-5-yl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide?
The InChIKey is OMPRVRXHYXCYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N7O/c1-14-8-15(2-5-18(14)23(35)32-17-3-4-17)20-11-31-22-21(30-7-6-24(25,26)27)33-19(12-34(20)22)16-9-28-13-29-10-16/h2,5,8-13,17H,3-4,6-7H2,1H3,(H,30,33)(H,32,35).
What are the key properties of N-cyclopropyl-2-methyl-4-[6-pyrimidin-5-yl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide?
N-cyclopropyl-2-methyl-4-[6-pyrimidin-5-yl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide has a molecular weight of 481.48 g/mol, XLogP of 4.42, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-methyl-4-[6-pyrimidin-5-yl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide is sourced from PubChem (CID 57382736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).