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

C20H20F3N5O — CID 67987896

IUPACN-cyclopropyl-2-methyl-4-[8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
SMILESCc1cc(-c2cnc3c(NCCC(F)(F)F)nccn23)ccc1C(=O)NC1CC1
InChIInChI=1S/C20H20F3N5O/c1-12-10-13(2-5-15(12)19(29)27-14-3-4-14)16-11-26-18-17(25-8-9-28(16)18)24-7-6-20(21,22)23/h2,5,8-11,14H,3-4,6-7H2,1H3,(H,24,25)(H,27,29)
InChIKeyMSHWBGIAMYRZSO-UHFFFAOYSA-N
MW403.41 g/mol
LogP3.96
Rot. Bonds6

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

N-cyclopropyl-2-methyl-4-[8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide (PubChem CID 67987896) has the molecular formula C20H20F3N5O and a molecular weight of 403.41 g/mol. Its IUPAC name is N-cyclopropyl-2-methyl-4-[8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-methyl-4-[8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
PubChem CID67987896
Molecular FormulaC20H20F3N5O
Molecular Weight403.41 g/mol
Exact Mass403.16
IUPAC NameN-cyclopropyl-2-methyl-4-[8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
SMILESCc1cc(-c2cnc3c(NCCC(F)(F)F)nccn23)ccc1C(=O)NC1CC1
InChIInChI=1S/C20H20F3N5O/c1-12-10-13(2-5-15(12)19(29)27-14-3-4-14)16-11-26-18-17(25-8-9-28(16)18)24-7-6-20(21,22)23/h2,5,8-11,14H,3-4,6-7H2,1H3,(H,24,25)(H,27,29)
InChIKeyMSHWBGIAMYRZSO-UHFFFAOYSA-N
XLogP3.96
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-methyl-4-[8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide?
The IUPAC name of N-cyclopropyl-2-methyl-4-[8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide (CID 67987896) is N-cyclopropyl-2-methyl-4-[8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-2-methyl-4-[8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide?
The canonical SMILES for N-cyclopropyl-2-methyl-4-[8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide is Cc1cc(-c2cnc3c(NCCC(F)(F)F)nccn23)ccc1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-methyl-4-[8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide?
The InChIKey is MSHWBGIAMYRZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5O/c1-12-10-13(2-5-15(12)19(29)27-14-3-4-14)16-11-26-18-17(25-8-9-28(16)18)24-7-6-20(21,22)23/h2,5,8-11,14H,3-4,6-7H2,1H3,(H,24,25)(H,27,29).
What are the key properties of N-cyclopropyl-2-methyl-4-[8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide?
N-cyclopropyl-2-methyl-4-[8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide has a molecular weight of 403.41 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-methyl-4-[8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide is sourced from PubChem (CID 67987896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).