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

C25H25N7O3 — CID 126547408

IUPAC6-(1H-indazol-6-yl)-8-[[(1Z,3E)-1-(methylideneamino)-4-morpholin-4-ylpenta-1,3-dienyl]amino]imidazo[1,2-a]pyridine-5-carboxylic acid
SMILESC=N/C(=C\C=C(/C)N1CCOCC1)Nc1cc(-c2ccc3cn[nH]c3c2)c(C(=O)O)n2ccnc12
InChIInChI=1S/C25H25N7O3/c1-16(31-9-11-35-12-10-31)3-6-22(26-2)29-21-14-19(17-4-5-18-15-28-30-20(18)13-17)23(25(33)34)32-8-7-27-24(21)32/h3-8,13-15,29H,2,9-12H2,1H3,(H,28,30)(H,33,34)/b16-3+,22-6+
InChIKeyVLIHICCFBNFUPS-WSJZTMGCSA-N
MW471.52 g/mol
LogP3.77
Rot. Bonds7

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

6-(1H-indazol-6-yl)-8-[[(1Z,3E)-1-(methylideneamino)-4-morpholin-4-ylpenta-1,3-dienyl]amino]imidazo[1,2-a]pyridine-5-carboxylic acid (PubChem CID 126547408) has the molecular formula C25H25N7O3 and a molecular weight of 471.52 g/mol. Its IUPAC name is 6-(1H-indazol-6-yl)-8-[[(1Z,3E)-1-(methylideneamino)-4-morpholin-4-ylpenta-1,3-dienyl]amino]imidazo[1,2-a]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name6-(1H-indazol-6-yl)-8-[[(1Z,3E)-1-(methylideneamino)-4-morpholin-4-ylpenta-1,3-dienyl]amino]imidazo[1,2-a]pyridine-5-carboxylic acid
PubChem CID126547408
Molecular FormulaC25H25N7O3
Molecular Weight471.52 g/mol
Exact Mass471.20
IUPAC Name6-(1H-indazol-6-yl)-8-[[(1Z,3E)-1-(methylideneamino)-4-morpholin-4-ylpenta-1,3-dienyl]amino]imidazo[1,2-a]pyridine-5-carboxylic acid
SMILESC=N/C(=C\C=C(/C)N1CCOCC1)Nc1cc(-c2ccc3cn[nH]c3c2)c(C(=O)O)n2ccnc12
InChIInChI=1S/C25H25N7O3/c1-16(31-9-11-35-12-10-31)3-6-22(26-2)29-21-14-19(17-4-5-18-15-28-30-20(18)13-17)23(25(33)34)32-8-7-27-24(21)32/h3-8,13-15,29H,2,9-12H2,1H3,(H,28,30)(H,33,34)/b16-3+,22-6+
InChIKeyVLIHICCFBNFUPS-WSJZTMGCSA-N
XLogP3.77
TPSA120.14 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.52
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(1H-indazol-6-yl)-8-[[(1Z,3E)-1-(methylideneamino)-4-morpholin-4-ylpenta-1,3-dienyl]amino]imidazo[1,2-a]pyridine-5-carboxylic acid?
The IUPAC name of 6-(1H-indazol-6-yl)-8-[[(1Z,3E)-1-(methylideneamino)-4-morpholin-4-ylpenta-1,3-dienyl]amino]imidazo[1,2-a]pyridine-5-carboxylic acid (CID 126547408) is 6-(1H-indazol-6-yl)-8-[[(1Z,3E)-1-(methylideneamino)-4-morpholin-4-ylpenta-1,3-dienyl]amino]imidazo[1,2-a]pyridine-5-carboxylic acid.
What is the SMILES notation for 6-(1H-indazol-6-yl)-8-[[(1Z,3E)-1-(methylideneamino)-4-morpholin-4-ylpenta-1,3-dienyl]amino]imidazo[1,2-a]pyridine-5-carboxylic acid?
The canonical SMILES for 6-(1H-indazol-6-yl)-8-[[(1Z,3E)-1-(methylideneamino)-4-morpholin-4-ylpenta-1,3-dienyl]amino]imidazo[1,2-a]pyridine-5-carboxylic acid is C=N/C(=C\C=C(/C)N1CCOCC1)Nc1cc(-c2ccc3cn[nH]c3c2)c(C(=O)O)n2ccnc12.
What is the InChIKey of 6-(1H-indazol-6-yl)-8-[[(1Z,3E)-1-(methylideneamino)-4-morpholin-4-ylpenta-1,3-dienyl]amino]imidazo[1,2-a]pyridine-5-carboxylic acid?
The InChIKey is VLIHICCFBNFUPS-WSJZTMGCSA-N. The full InChI is InChI=1S/C25H25N7O3/c1-16(31-9-11-35-12-10-31)3-6-22(26-2)29-21-14-19(17-4-5-18-15-28-30-20(18)13-17)23(25(33)34)32-8-7-27-24(21)32/h3-8,13-15,29H,2,9-12H2,1H3,(H,28,30)(H,33,34)/b16-3+,22-6+.
What are the key properties of 6-(1H-indazol-6-yl)-8-[[(1Z,3E)-1-(methylideneamino)-4-morpholin-4-ylpenta-1,3-dienyl]amino]imidazo[1,2-a]pyridine-5-carboxylic acid?
6-(1H-indazol-6-yl)-8-[[(1Z,3E)-1-(methylideneamino)-4-morpholin-4-ylpenta-1,3-dienyl]amino]imidazo[1,2-a]pyridine-5-carboxylic acid has a molecular weight of 471.52 g/mol, XLogP of 3.77, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-indazol-6-yl)-8-[[(1Z,3E)-1-(methylideneamino)-4-morpholin-4-ylpenta-1,3-dienyl]amino]imidazo[1,2-a]pyridine-5-carboxylic acid is sourced from PubChem (CID 126547408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).