formic acid;6-(8-propan-2-yloxyimidazo[1,2-a]pyrazin-3-yl)-1,3-dihydroindol-2-one

C18H18N4O4 — CID 166599664

IUPACformic acid;6-(8-propan-2-yloxyimidazo[1,2-a]pyrazin-3-yl)-1,3-dihydroindol-2-one
SMILESCC(C)Oc1nccn2c(-c3ccc4c(c3)NC(=O)C4)cnc12.O=CO
InChIInChI=1S/C17H16N4O2.CH2O2/c1-10(2)23-17-16-19-9-14(21(16)6-5-18-17)12-4-3-11-8-15(22)20-13(11)7-12;2-1-3/h3-7,9-10H,8H2,1-2H3,(H,20,22);1H,(H,2,3)
InChIKeySRXGUIQDNDGDQP-UHFFFAOYSA-N
MW354.37 g/mol
LogP2.38
Rot. Bonds3

About formic acid;6-(8-propan-2-yloxyimidazo[1,2-a]pyrazin-3-yl)-1,3-dihydroindol-2-one

formic acid;6-(8-propan-2-yloxyimidazo[1,2-a]pyrazin-3-yl)-1,3-dihydroindol-2-one (PubChem CID 166599664) has the molecular formula C18H18N4O4 and a molecular weight of 354.37 g/mol. Its IUPAC name is formic acid;6-(8-propan-2-yloxyimidazo[1,2-a]pyrazin-3-yl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Nameformic acid;6-(8-propan-2-yloxyimidazo[1,2-a]pyrazin-3-yl)-1,3-dihydroindol-2-one
PubChem CID166599664
Molecular FormulaC18H18N4O4
Molecular Weight354.37 g/mol
Exact Mass354.13
IUPAC Nameformic acid;6-(8-propan-2-yloxyimidazo[1,2-a]pyrazin-3-yl)-1,3-dihydroindol-2-one
SMILESCC(C)Oc1nccn2c(-c3ccc4c(c3)NC(=O)C4)cnc12.O=CO
InChIInChI=1S/C17H16N4O2.CH2O2/c1-10(2)23-17-16-19-9-14(21(16)6-5-18-17)12-4-3-11-8-15(22)20-13(11)7-12;2-1-3/h3-7,9-10H,8H2,1-2H3,(H,20,22);1H,(H,2,3)
InChIKeySRXGUIQDNDGDQP-UHFFFAOYSA-N
XLogP2.38
TPSA105.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of formic acid;6-(8-propan-2-yloxyimidazo[1,2-a]pyrazin-3-yl)-1,3-dihydroindol-2-one?
The IUPAC name of formic acid;6-(8-propan-2-yloxyimidazo[1,2-a]pyrazin-3-yl)-1,3-dihydroindol-2-one (CID 166599664) is formic acid;6-(8-propan-2-yloxyimidazo[1,2-a]pyrazin-3-yl)-1,3-dihydroindol-2-one.
What is the SMILES notation for formic acid;6-(8-propan-2-yloxyimidazo[1,2-a]pyrazin-3-yl)-1,3-dihydroindol-2-one?
The canonical SMILES for formic acid;6-(8-propan-2-yloxyimidazo[1,2-a]pyrazin-3-yl)-1,3-dihydroindol-2-one is CC(C)Oc1nccn2c(-c3ccc4c(c3)NC(=O)C4)cnc12.O=CO.
What is the InChIKey of formic acid;6-(8-propan-2-yloxyimidazo[1,2-a]pyrazin-3-yl)-1,3-dihydroindol-2-one?
The InChIKey is SRXGUIQDNDGDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2.CH2O2/c1-10(2)23-17-16-19-9-14(21(16)6-5-18-17)12-4-3-11-8-15(22)20-13(11)7-12;2-1-3/h3-7,9-10H,8H2,1-2H3,(H,20,22);1H,(H,2,3).
What are the key properties of formic acid;6-(8-propan-2-yloxyimidazo[1,2-a]pyrazin-3-yl)-1,3-dihydroindol-2-one?
formic acid;6-(8-propan-2-yloxyimidazo[1,2-a]pyrazin-3-yl)-1,3-dihydroindol-2-one has a molecular weight of 354.37 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;6-(8-propan-2-yloxyimidazo[1,2-a]pyrazin-3-yl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 166599664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).