1-methyl-N-[[7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid

C21H28F3N5O4 — CID 118743772

IUPAC1-methyl-N-[[7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCn1cccc1C(=O)NCc1cn2c(n1)CN(CC1CCOCC1)CC2.O=C(O)C(F)(F)F
InChIInChI=1S/C19H27N5O2.C2HF3O2/c1-22-6-2-3-17(22)19(25)20-11-16-13-24-8-7-23(14-18(24)21-16)12-15-4-9-26-10-5-15;3-2(4,5)1(6)7/h2-3,6,13,15H,4-5,7-12,14H2,1H3,(H,20,25);(H,6,7)
InChIKeyVOIHAZDBLGLAFR-UHFFFAOYSA-N
MW471.48 g/mol
LogP2.03
Rot. Bonds5

About 1-methyl-N-[[7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid

1-methyl-N-[[7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 118743772) has the molecular formula C21H28F3N5O4 and a molecular weight of 471.48 g/mol. Its IUPAC name is 1-methyl-N-[[7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-methyl-N-[[7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID118743772
Molecular FormulaC21H28F3N5O4
Molecular Weight471.48 g/mol
Exact Mass471.21
IUPAC Name1-methyl-N-[[7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCn1cccc1C(=O)NCc1cn2c(n1)CN(CC1CCOCC1)CC2.O=C(O)C(F)(F)F
InChIInChI=1S/C19H27N5O2.C2HF3O2/c1-22-6-2-3-17(22)19(25)20-11-16-13-24-8-7-23(14-18(24)21-16)12-15-4-9-26-10-5-15;3-2(4,5)1(6)7/h2-3,6,13,15H,4-5,7-12,14H2,1H3,(H,20,25);(H,6,7)
InChIKeyVOIHAZDBLGLAFR-UHFFFAOYSA-N
XLogP2.03
TPSA101.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.48
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-methyl-N-[[7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-methyl-N-[[7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid (CID 118743772) is 1-methyl-N-[[7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-methyl-N-[[7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-methyl-N-[[7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid is Cn1cccc1C(=O)NCc1cn2c(n1)CN(CC1CCOCC1)CC2.O=C(O)C(F)(F)F.
What is the InChIKey of 1-methyl-N-[[7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is VOIHAZDBLGLAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2.C2HF3O2/c1-22-6-2-3-17(22)19(25)20-11-16-13-24-8-7-23(14-18(24)21-16)12-15-4-9-26-10-5-15;3-2(4,5)1(6)7/h2-3,6,13,15H,4-5,7-12,14H2,1H3,(H,20,25);(H,6,7).
What are the key properties of 1-methyl-N-[[7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid?
1-methyl-N-[[7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 471.48 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118743772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).