5-(5-morpholin-4-yl-3-pyridinyl)-N-(6-oxo-1H-pyridin-3-yl)-1H-indazole-3-carboxamide

C22H20N6O3 — CID 89450970

IUPAC5-(5-morpholin-4-yl-3-pyridinyl)-N-(6-oxo-1H-pyridin-3-yl)-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(=O)[nH]c1)c1n[nH]c2ccc(-c3cncc(N4CCOCC4)c3)cc12
InChIInChI=1S/C22H20N6O3/c29-20-4-2-16(12-24-20)25-22(30)21-18-10-14(1-3-19(18)26-27-21)15-9-17(13-23-11-15)28-5-7-31-8-6-28/h1-4,9-13H,5-8H2,(H,24,29)(H,25,30)(H,26,27)
InChIKeyCMEVIYNAGPFGTE-UHFFFAOYSA-N
MW416.44 g/mol
LogP2.40
Rot. Bonds4

About 5-(5-morpholin-4-yl-3-pyridinyl)-N-(6-oxo-1H-pyridin-3-yl)-1H-indazole-3-carboxamide

5-(5-morpholin-4-yl-3-pyridinyl)-N-(6-oxo-1H-pyridin-3-yl)-1H-indazole-3-carboxamide (PubChem CID 89450970) has the molecular formula C22H20N6O3 and a molecular weight of 416.44 g/mol. Its IUPAC name is 5-(5-morpholin-4-yl-3-pyridinyl)-N-(6-oxo-1H-pyridin-3-yl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-(5-morpholin-4-yl-3-pyridinyl)-N-(6-oxo-1H-pyridin-3-yl)-1H-indazole-3-carboxamide
PubChem CID89450970
Molecular FormulaC22H20N6O3
Molecular Weight416.44 g/mol
Exact Mass416.16
IUPAC Name5-(5-morpholin-4-yl-3-pyridinyl)-N-(6-oxo-1H-pyridin-3-yl)-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(=O)[nH]c1)c1n[nH]c2ccc(-c3cncc(N4CCOCC4)c3)cc12
InChIInChI=1S/C22H20N6O3/c29-20-4-2-16(12-24-20)25-22(30)21-18-10-14(1-3-19(18)26-27-21)15-9-17(13-23-11-15)28-5-7-31-8-6-28/h1-4,9-13H,5-8H2,(H,24,29)(H,25,30)(H,26,27)
InChIKeyCMEVIYNAGPFGTE-UHFFFAOYSA-N
XLogP2.40
TPSA116.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-(5-morpholin-4-yl-3-pyridinyl)-N-(6-oxo-1H-pyridin-3-yl)-1H-indazole-3-carboxamide?
The IUPAC name of 5-(5-morpholin-4-yl-3-pyridinyl)-N-(6-oxo-1H-pyridin-3-yl)-1H-indazole-3-carboxamide (CID 89450970) is 5-(5-morpholin-4-yl-3-pyridinyl)-N-(6-oxo-1H-pyridin-3-yl)-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-(5-morpholin-4-yl-3-pyridinyl)-N-(6-oxo-1H-pyridin-3-yl)-1H-indazole-3-carboxamide?
The canonical SMILES for 5-(5-morpholin-4-yl-3-pyridinyl)-N-(6-oxo-1H-pyridin-3-yl)-1H-indazole-3-carboxamide is O=C(Nc1ccc(=O)[nH]c1)c1n[nH]c2ccc(-c3cncc(N4CCOCC4)c3)cc12.
What is the InChIKey of 5-(5-morpholin-4-yl-3-pyridinyl)-N-(6-oxo-1H-pyridin-3-yl)-1H-indazole-3-carboxamide?
The InChIKey is CMEVIYNAGPFGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O3/c29-20-4-2-16(12-24-20)25-22(30)21-18-10-14(1-3-19(18)26-27-21)15-9-17(13-23-11-15)28-5-7-31-8-6-28/h1-4,9-13H,5-8H2,(H,24,29)(H,25,30)(H,26,27).
What are the key properties of 5-(5-morpholin-4-yl-3-pyridinyl)-N-(6-oxo-1H-pyridin-3-yl)-1H-indazole-3-carboxamide?
5-(5-morpholin-4-yl-3-pyridinyl)-N-(6-oxo-1H-pyridin-3-yl)-1H-indazole-3-carboxamide has a molecular weight of 416.44 g/mol, XLogP of 2.40, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-morpholin-4-yl-3-pyridinyl)-N-(6-oxo-1H-pyridin-3-yl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 89450970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).