4-[6-[(E)-but-2-en-2-yl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropyl-2-methylbenzamide

C24H26F3N5O — CID 57407261

IUPAC4-[6-[(E)-but-2-en-2-yl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropyl-2-methylbenzamide
SMILESC/C=C(\C)c1cn2c(-c3ccc(C(=O)NC4CC4)c(C)c3)cnc2c(NCCC(F)(F)F)n1
InChIInChI=1S/C24H26F3N5O/c1-4-14(2)19-13-32-20(12-29-22(32)21(31-19)28-10-9-24(25,26)27)16-5-8-18(15(3)11-16)23(33)30-17-6-7-17/h4-5,8,11-13,17H,6-7,9-10H2,1-3H3,(H,28,31)(H,30,33)/b14-4+
InChIKeyTXWWMZFLVUVYRP-LNKIKWGQSA-N
MW457.50 g/mol
LogP5.38
Rot. Bonds7

About 4-[6-[(E)-but-2-en-2-yl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropyl-2-methylbenzamide

4-[6-[(E)-but-2-en-2-yl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropyl-2-methylbenzamide (PubChem CID 57407261) has the molecular formula C24H26F3N5O and a molecular weight of 457.50 g/mol. Its IUPAC name is 4-[6-[(E)-but-2-en-2-yl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropyl-2-methylbenzamide.

Molecular Properties

Compound Name4-[6-[(E)-but-2-en-2-yl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropyl-2-methylbenzamide
PubChem CID57407261
Molecular FormulaC24H26F3N5O
Molecular Weight457.50 g/mol
Exact Mass457.21
IUPAC Name4-[6-[(E)-but-2-en-2-yl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropyl-2-methylbenzamide
SMILESC/C=C(\C)c1cn2c(-c3ccc(C(=O)NC4CC4)c(C)c3)cnc2c(NCCC(F)(F)F)n1
InChIInChI=1S/C24H26F3N5O/c1-4-14(2)19-13-32-20(12-29-22(32)21(31-19)28-10-9-24(25,26)27)16-5-8-18(15(3)11-16)23(33)30-17-6-7-17/h4-5,8,11-13,17H,6-7,9-10H2,1-3H3,(H,28,31)(H,30,33)/b14-4+
InChIKeyTXWWMZFLVUVYRP-LNKIKWGQSA-N
XLogP5.38
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.50
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[(E)-but-2-en-2-yl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropyl-2-methylbenzamide?
The IUPAC name of 4-[6-[(E)-but-2-en-2-yl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropyl-2-methylbenzamide (CID 57407261) is 4-[6-[(E)-but-2-en-2-yl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropyl-2-methylbenzamide.
What is the SMILES notation for 4-[6-[(E)-but-2-en-2-yl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropyl-2-methylbenzamide?
The canonical SMILES for 4-[6-[(E)-but-2-en-2-yl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropyl-2-methylbenzamide is C/C=C(\C)c1cn2c(-c3ccc(C(=O)NC4CC4)c(C)c3)cnc2c(NCCC(F)(F)F)n1.
What is the InChIKey of 4-[6-[(E)-but-2-en-2-yl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropyl-2-methylbenzamide?
The InChIKey is TXWWMZFLVUVYRP-LNKIKWGQSA-N. The full InChI is InChI=1S/C24H26F3N5O/c1-4-14(2)19-13-32-20(12-29-22(32)21(31-19)28-10-9-24(25,26)27)16-5-8-18(15(3)11-16)23(33)30-17-6-7-17/h4-5,8,11-13,17H,6-7,9-10H2,1-3H3,(H,28,31)(H,30,33)/b14-4+.
What are the key properties of 4-[6-[(E)-but-2-en-2-yl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropyl-2-methylbenzamide?
4-[6-[(E)-but-2-en-2-yl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropyl-2-methylbenzamide has a molecular weight of 457.50 g/mol, XLogP of 5.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(E)-but-2-en-2-yl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropyl-2-methylbenzamide is sourced from PubChem (CID 57407261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).