N-[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]oxy-3-pyridinyl]-3-methylbutanamide

C23H26N4O4 — CID 156528771

IUPACN-[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]oxy-3-pyridinyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1cncc(Oc2ccc3c(c2)c(C=O)nn3C2CCCCO2)c1
InChIInChI=1S/C23H26N4O4/c1-15(2)9-22(29)25-16-10-18(13-24-12-16)31-17-6-7-21-19(11-17)20(14-28)26-27(21)23-5-3-4-8-30-23/h6-7,10-15,23H,3-5,8-9H2,1-2H3,(H,25,29)
InChIKeyDGOFGBXZBJVNQP-UHFFFAOYSA-N
MW422.49 g/mol
LogP4.72
Rot. Bonds7

About N-[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]oxy-3-pyridinyl]-3-methylbutanamide

N-[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]oxy-3-pyridinyl]-3-methylbutanamide (PubChem CID 156528771) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is N-[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]oxy-3-pyridinyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]oxy-3-pyridinyl]-3-methylbutanamide
PubChem CID156528771
Molecular FormulaC23H26N4O4
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC NameN-[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]oxy-3-pyridinyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1cncc(Oc2ccc3c(c2)c(C=O)nn3C2CCCCO2)c1
InChIInChI=1S/C23H26N4O4/c1-15(2)9-22(29)25-16-10-18(13-24-12-16)31-17-6-7-21-19(11-17)20(14-28)26-27(21)23-5-3-4-8-30-23/h6-7,10-15,23H,3-5,8-9H2,1-2H3,(H,25,29)
InChIKeyDGOFGBXZBJVNQP-UHFFFAOYSA-N
XLogP4.72
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]oxy-3-pyridinyl]-3-methylbutanamide?
The IUPAC name of N-[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]oxy-3-pyridinyl]-3-methylbutanamide (CID 156528771) is N-[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]oxy-3-pyridinyl]-3-methylbutanamide.
What is the SMILES notation for N-[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]oxy-3-pyridinyl]-3-methylbutanamide?
The canonical SMILES for N-[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]oxy-3-pyridinyl]-3-methylbutanamide is CC(C)CC(=O)Nc1cncc(Oc2ccc3c(c2)c(C=O)nn3C2CCCCO2)c1.
What is the InChIKey of N-[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]oxy-3-pyridinyl]-3-methylbutanamide?
The InChIKey is DGOFGBXZBJVNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4/c1-15(2)9-22(29)25-16-10-18(13-24-12-16)31-17-6-7-21-19(11-17)20(14-28)26-27(21)23-5-3-4-8-30-23/h6-7,10-15,23H,3-5,8-9H2,1-2H3,(H,25,29).
What are the key properties of N-[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]oxy-3-pyridinyl]-3-methylbutanamide?
N-[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]oxy-3-pyridinyl]-3-methylbutanamide has a molecular weight of 422.49 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]oxy-3-pyridinyl]-3-methylbutanamide is sourced from PubChem (CID 156528771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).