2-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one

C17H16N8O2 — CID 137049446

IUPAC2-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESCc1c(C(=O)N2CCn3ccnc3C2)cnn1-c1nn2cccc2c(=O)[nH]1
InChIInChI=1S/C17H16N8O2/c1-11-12(16(27)23-8-7-22-6-4-18-14(22)10-23)9-19-25(11)17-20-15(26)13-3-2-5-24(13)21-17/h2-6,9H,7-8,10H2,1H3,(H,20,21,26)
InChIKeyIKAFJLBOAWWFJD-UHFFFAOYSA-N
MW364.37 g/mol
LogP0.37
Rot. Bonds2

About 2-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one

2-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (PubChem CID 137049446) has the molecular formula C17H16N8O2 and a molecular weight of 364.37 g/mol. Its IUPAC name is 2-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name2-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
PubChem CID137049446
Molecular FormulaC17H16N8O2
Molecular Weight364.37 g/mol
Exact Mass364.14
IUPAC Name2-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESCc1c(C(=O)N2CCn3ccnc3C2)cnn1-c1nn2cccc2c(=O)[nH]1
InChIInChI=1S/C17H16N8O2/c1-11-12(16(27)23-8-7-22-6-4-18-14(22)10-23)9-19-25(11)17-20-15(26)13-3-2-5-24(13)21-17/h2-6,9H,7-8,10H2,1H3,(H,20,21,26)
InChIKeyIKAFJLBOAWWFJD-UHFFFAOYSA-N
XLogP0.37
TPSA106.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The IUPAC name of 2-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (CID 137049446) is 2-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 2-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 2-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one is Cc1c(C(=O)N2CCn3ccnc3C2)cnn1-c1nn2cccc2c(=O)[nH]1.
What is the InChIKey of 2-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The InChIKey is IKAFJLBOAWWFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N8O2/c1-11-12(16(27)23-8-7-22-6-4-18-14(22)10-23)9-19-25(11)17-20-15(26)13-3-2-5-24(13)21-17/h2-6,9H,7-8,10H2,1H3,(H,20,21,26).
What are the key properties of 2-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
2-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one has a molecular weight of 364.37 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 137049446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).