methyl 6-(1H-indazol-6-yl)-8-[[(1Z,3E)-1-(methylideneamino)-4-morpholin-4-ylpenta-1,3-dienyl]amino]imidazo[1,2-a]pyridine-5-carboxylate

C26H27N7O3 — CID 126547451

IUPACmethyl 6-(1H-indazol-6-yl)-8-[[(1Z,3E)-1-(methylideneamino)-4-morpholin-4-ylpenta-1,3-dienyl]amino]imidazo[1,2-a]pyridine-5-carboxylate
SMILESC=N/C(=C\C=C(/C)N1CCOCC1)Nc1cc(-c2ccc3cn[nH]c3c2)c(C(=O)OC)n2ccnc12
InChIInChI=1S/C26H27N7O3/c1-17(32-10-12-36-13-11-32)4-7-23(27-2)30-22-15-20(18-5-6-19-16-29-31-21(19)14-18)24(26(34)35-3)33-9-8-28-25(22)33/h4-9,14-16,30H,2,10-13H2,1,3H3,(H,29,31)/b17-4+,23-7+
InChIKeyGQKIZZDFMHAPLP-WBKHUKLRSA-N
MW485.55 g/mol
LogP3.85
Rot. Bonds7

About methyl 6-(1H-indazol-6-yl)-8-[[(1Z,3E)-1-(methylideneamino)-4-morpholin-4-ylpenta-1,3-dienyl]amino]imidazo[1,2-a]pyridine-5-carboxylate

methyl 6-(1H-indazol-6-yl)-8-[[(1Z,3E)-1-(methylideneamino)-4-morpholin-4-ylpenta-1,3-dienyl]amino]imidazo[1,2-a]pyridine-5-carboxylate (PubChem CID 126547451) has the molecular formula C26H27N7O3 and a molecular weight of 485.55 g/mol. Its IUPAC name is methyl 6-(1H-indazol-6-yl)-8-[[(1Z,3E)-1-(methylideneamino)-4-morpholin-4-ylpenta-1,3-dienyl]amino]imidazo[1,2-a]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 6-(1H-indazol-6-yl)-8-[[(1Z,3E)-1-(methylideneamino)-4-morpholin-4-ylpenta-1,3-dienyl]amino]imidazo[1,2-a]pyridine-5-carboxylate
PubChem CID126547451
Molecular FormulaC26H27N7O3
Molecular Weight485.55 g/mol
Exact Mass485.22
IUPAC Namemethyl 6-(1H-indazol-6-yl)-8-[[(1Z,3E)-1-(methylideneamino)-4-morpholin-4-ylpenta-1,3-dienyl]amino]imidazo[1,2-a]pyridine-5-carboxylate
SMILESC=N/C(=C\C=C(/C)N1CCOCC1)Nc1cc(-c2ccc3cn[nH]c3c2)c(C(=O)OC)n2ccnc12
InChIInChI=1S/C26H27N7O3/c1-17(32-10-12-36-13-11-32)4-7-23(27-2)30-22-15-20(18-5-6-19-16-29-31-21(19)14-18)24(26(34)35-3)33-9-8-28-25(22)33/h4-9,14-16,30H,2,10-13H2,1,3H3,(H,29,31)/b17-4+,23-7+
InChIKeyGQKIZZDFMHAPLP-WBKHUKLRSA-N
XLogP3.85
TPSA109.14 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.55
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze methyl 6-(1H-indazol-6-yl)-8-[[(1Z,3E)-1-(methylideneamino)-4-morpholin-4-ylpenta-1,3-dienyl]amino]imidazo[1,2-a]pyridine-5-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(1H-indazol-6-yl)-8-[[(1Z,3E)-1-(methylideneamino)-4-morpholin-4-ylpenta-1,3-dienyl]amino]imidazo[1,2-a]pyridine-5-carboxylate?
The IUPAC name of methyl 6-(1H-indazol-6-yl)-8-[[(1Z,3E)-1-(methylideneamino)-4-morpholin-4-ylpenta-1,3-dienyl]amino]imidazo[1,2-a]pyridine-5-carboxylate (CID 126547451) is methyl 6-(1H-indazol-6-yl)-8-[[(1Z,3E)-1-(methylideneamino)-4-morpholin-4-ylpenta-1,3-dienyl]amino]imidazo[1,2-a]pyridine-5-carboxylate.
What is the SMILES notation for methyl 6-(1H-indazol-6-yl)-8-[[(1Z,3E)-1-(methylideneamino)-4-morpholin-4-ylpenta-1,3-dienyl]amino]imidazo[1,2-a]pyridine-5-carboxylate?
The canonical SMILES for methyl 6-(1H-indazol-6-yl)-8-[[(1Z,3E)-1-(methylideneamino)-4-morpholin-4-ylpenta-1,3-dienyl]amino]imidazo[1,2-a]pyridine-5-carboxylate is C=N/C(=C\C=C(/C)N1CCOCC1)Nc1cc(-c2ccc3cn[nH]c3c2)c(C(=O)OC)n2ccnc12.
What is the InChIKey of methyl 6-(1H-indazol-6-yl)-8-[[(1Z,3E)-1-(methylideneamino)-4-morpholin-4-ylpenta-1,3-dienyl]amino]imidazo[1,2-a]pyridine-5-carboxylate?
The InChIKey is GQKIZZDFMHAPLP-WBKHUKLRSA-N. The full InChI is InChI=1S/C26H27N7O3/c1-17(32-10-12-36-13-11-32)4-7-23(27-2)30-22-15-20(18-5-6-19-16-29-31-21(19)14-18)24(26(34)35-3)33-9-8-28-25(22)33/h4-9,14-16,30H,2,10-13H2,1,3H3,(H,29,31)/b17-4+,23-7+.
What are the key properties of methyl 6-(1H-indazol-6-yl)-8-[[(1Z,3E)-1-(methylideneamino)-4-morpholin-4-ylpenta-1,3-dienyl]amino]imidazo[1,2-a]pyridine-5-carboxylate?
methyl 6-(1H-indazol-6-yl)-8-[[(1Z,3E)-1-(methylideneamino)-4-morpholin-4-ylpenta-1,3-dienyl]amino]imidazo[1,2-a]pyridine-5-carboxylate has a molecular weight of 485.55 g/mol, XLogP of 3.85, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(1H-indazol-6-yl)-8-[[(1Z,3E)-1-(methylideneamino)-4-morpholin-4-ylpenta-1,3-dienyl]amino]imidazo[1,2-a]pyridine-5-carboxylate is sourced from PubChem (CID 126547451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).