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

C22H23F6N7O5 — CID 118746438

IUPAC1-methyl-N-[[7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide;bis(2,2,2-trifluoroacetic acid)
SMILESCn1cc(C(=O)NCc2cn3c(n2)CN(Cc2ccccn2)CC3)cn1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C18H21N7O.2C2HF3O2/c1-23-10-14(8-21-23)18(26)20-9-16-12-25-7-6-24(13-17(25)22-16)11-15-4-2-3-5-19-15;2*3-2(4,5)1(6)7/h2-5,8,10,12H,6-7,9,11,13H2,1H3,(H,20,26);2*(H,6,7)
InChIKeyBCYKCXOMWOGYDJ-UHFFFAOYSA-N
MW579.46 g/mol
LogP2.22
Rot. Bonds5

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

1-methyl-N-[[7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide;bis(2,2,2-trifluoroacetic acid) (PubChem CID 118746438) has the molecular formula C22H23F6N7O5 and a molecular weight of 579.46 g/mol. Its IUPAC name is 1-methyl-N-[[7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name1-methyl-N-[[7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide;bis(2,2,2-trifluoroacetic acid)
PubChem CID118746438
Molecular FormulaC22H23F6N7O5
Molecular Weight579.46 g/mol
Exact Mass579.17
IUPAC Name1-methyl-N-[[7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide;bis(2,2,2-trifluoroacetic acid)
SMILESCn1cc(C(=O)NCc2cn3c(n2)CN(Cc2ccccn2)CC3)cn1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C18H21N7O.2C2HF3O2/c1-23-10-14(8-21-23)18(26)20-9-16-12-25-7-6-24(13-17(25)22-16)11-15-4-2-3-5-19-15;2*3-2(4,5)1(6)7/h2-5,8,10,12H,6-7,9,11,13H2,1H3,(H,20,26);2*(H,6,7)
InChIKeyBCYKCXOMWOGYDJ-UHFFFAOYSA-N
XLogP2.22
TPSA155.47 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500579.46
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 1-methyl-N-[[7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide;bis(2,2,2-trifluoroacetic acid) (CID 118746438) is 1-methyl-N-[[7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 1-methyl-N-[[7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 1-methyl-N-[[7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide;bis(2,2,2-trifluoroacetic acid) is Cn1cc(C(=O)NCc2cn3c(n2)CN(Cc2ccccn2)CC3)cn1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 1-methyl-N-[[7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is BCYKCXOMWOGYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O.2C2HF3O2/c1-23-10-14(8-21-23)18(26)20-9-16-12-25-7-6-24(13-17(25)22-16)11-15-4-2-3-5-19-15;2*3-2(4,5)1(6)7/h2-5,8,10,12H,6-7,9,11,13H2,1H3,(H,20,26);2*(H,6,7).
What are the key properties of 1-methyl-N-[[7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide;bis(2,2,2-trifluoroacetic acid)?
1-methyl-N-[[7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 579.46 g/mol, XLogP of 2.22, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 118746438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).