6-(1H-indazol-4-yl)-N-(3-methoxypropyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide

C22H25N7O3 — CID 57391335

IUPAC6-(1H-indazol-4-yl)-N-(3-methoxypropyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide
SMILESCOCCCNC(=O)c1cn2cc(-c3cccc4[nH]ncc34)nc(N3CCOCC3)c2n1
InChIInChI=1S/C22H25N7O3/c1-31-9-3-6-23-22(30)19-14-29-13-18(15-4-2-5-17-16(15)12-24-27-17)25-20(21(29)26-19)28-7-10-32-11-8-28/h2,4-5,12-14H,3,6-11H2,1H3,(H,23,30)(H,24,27)
InChIKeyNVUXGYQVPVQMTL-UHFFFAOYSA-N
MW435.49 g/mol
LogP1.88
Rot. Bonds7

About 6-(1H-indazol-4-yl)-N-(3-methoxypropyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide

6-(1H-indazol-4-yl)-N-(3-methoxypropyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide (PubChem CID 57391335) has the molecular formula C22H25N7O3 and a molecular weight of 435.49 g/mol. Its IUPAC name is 6-(1H-indazol-4-yl)-N-(3-methoxypropyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-(1H-indazol-4-yl)-N-(3-methoxypropyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide
PubChem CID57391335
Molecular FormulaC22H25N7O3
Molecular Weight435.49 g/mol
Exact Mass435.20
IUPAC Name6-(1H-indazol-4-yl)-N-(3-methoxypropyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide
SMILESCOCCCNC(=O)c1cn2cc(-c3cccc4[nH]ncc34)nc(N3CCOCC3)c2n1
InChIInChI=1S/C22H25N7O3/c1-31-9-3-6-23-22(30)19-14-29-13-18(15-4-2-5-17-16(15)12-24-27-17)25-20(21(29)26-19)28-7-10-32-11-8-28/h2,4-5,12-14H,3,6-11H2,1H3,(H,23,30)(H,24,27)
InChIKeyNVUXGYQVPVQMTL-UHFFFAOYSA-N
XLogP1.88
TPSA109.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.49
LogP ≤ 51.88
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-(3-methoxypropyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of 6-(1H-indazol-4-yl)-N-(3-methoxypropyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide (CID 57391335) is 6-(1H-indazol-4-yl)-N-(3-methoxypropyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for 6-(1H-indazol-4-yl)-N-(3-methoxypropyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for 6-(1H-indazol-4-yl)-N-(3-methoxypropyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide is COCCCNC(=O)c1cn2cc(-c3cccc4[nH]ncc34)nc(N3CCOCC3)c2n1.
What is the InChIKey of 6-(1H-indazol-4-yl)-N-(3-methoxypropyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is NVUXGYQVPVQMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O3/c1-31-9-3-6-23-22(30)19-14-29-13-18(15-4-2-5-17-16(15)12-24-27-17)25-20(21(29)26-19)28-7-10-32-11-8-28/h2,4-5,12-14H,3,6-11H2,1H3,(H,23,30)(H,24,27).
What are the key properties of 6-(1H-indazol-4-yl)-N-(3-methoxypropyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide?
6-(1H-indazol-4-yl)-N-(3-methoxypropyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 435.49 g/mol, XLogP of 1.88, 7 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-(3-methoxypropyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 57391335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).