6-(1H-indazol-4-yl)-N-(2-methoxyethyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide

C21H23N7O3 — CID 57391334

IUPAC6-(1H-indazol-4-yl)-N-(2-methoxyethyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide
SMILESCOCCNC(=O)c1cn2cc(-c3cccc4[nH]ncc34)nc(N3CCOCC3)c2n1
InChIInChI=1S/C21H23N7O3/c1-30-8-5-22-21(29)18-13-28-12-17(14-3-2-4-16-15(14)11-23-26-16)24-19(20(28)25-18)27-6-9-31-10-7-27/h2-4,11-13H,5-10H2,1H3,(H,22,29)(H,23,26)
InChIKeyPNPYFYJDTOFOGB-UHFFFAOYSA-N
MW421.46 g/mol
LogP1.49
Rot. Bonds6

About 6-(1H-indazol-4-yl)-N-(2-methoxyethyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide

6-(1H-indazol-4-yl)-N-(2-methoxyethyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide (PubChem CID 57391334) has the molecular formula C21H23N7O3 and a molecular weight of 421.46 g/mol. Its IUPAC name is 6-(1H-indazol-4-yl)-N-(2-methoxyethyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-(1H-indazol-4-yl)-N-(2-methoxyethyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide
PubChem CID57391334
Molecular FormulaC21H23N7O3
Molecular Weight421.46 g/mol
Exact Mass421.19
IUPAC Name6-(1H-indazol-4-yl)-N-(2-methoxyethyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide
SMILESCOCCNC(=O)c1cn2cc(-c3cccc4[nH]ncc34)nc(N3CCOCC3)c2n1
InChIInChI=1S/C21H23N7O3/c1-30-8-5-22-21(29)18-13-28-12-17(14-3-2-4-16-15(14)11-23-26-16)24-19(20(28)25-18)27-6-9-31-10-7-27/h2-4,11-13H,5-10H2,1H3,(H,22,29)(H,23,26)
InChIKeyPNPYFYJDTOFOGB-UHFFFAOYSA-N
XLogP1.49
TPSA109.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(1H-indazol-4-yl)-N-(2-methoxyethyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of 6-(1H-indazol-4-yl)-N-(2-methoxyethyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide (CID 57391334) is 6-(1H-indazol-4-yl)-N-(2-methoxyethyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for 6-(1H-indazol-4-yl)-N-(2-methoxyethyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for 6-(1H-indazol-4-yl)-N-(2-methoxyethyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide is COCCNC(=O)c1cn2cc(-c3cccc4[nH]ncc34)nc(N3CCOCC3)c2n1.
What is the InChIKey of 6-(1H-indazol-4-yl)-N-(2-methoxyethyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is PNPYFYJDTOFOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O3/c1-30-8-5-22-21(29)18-13-28-12-17(14-3-2-4-16-15(14)11-23-26-16)24-19(20(28)25-18)27-6-9-31-10-7-27/h2-4,11-13H,5-10H2,1H3,(H,22,29)(H,23,26).
What are the key properties of 6-(1H-indazol-4-yl)-N-(2-methoxyethyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide?
6-(1H-indazol-4-yl)-N-(2-methoxyethyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 421.46 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-indazol-4-yl)-N-(2-methoxyethyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 57391334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).