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

C21H22N4O4 — CID 156528739

IUPACN-[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]oxy-3-pyridinyl]propanamide
SMILESCCC(=O)Nc1cncc(Oc2ccc3c(c2)c(C=O)nn3C2CCCCO2)c1
InChIInChI=1S/C21H22N4O4/c1-2-20(27)23-14-9-16(12-22-11-14)29-15-6-7-19-17(10-15)18(13-26)24-25(19)21-5-3-4-8-28-21/h6-7,9-13,21H,2-5,8H2,1H3,(H,23,27)
InChIKeyMZSVRRRXSYZIBV-UHFFFAOYSA-N
MW394.43 g/mol
LogP4.08
Rot. Bonds6

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

N-[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]oxy-3-pyridinyl]propanamide (PubChem CID 156528739) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is N-[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]oxy-3-pyridinyl]propanamide.

Molecular Properties

Compound NameN-[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]oxy-3-pyridinyl]propanamide
PubChem CID156528739
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC NameN-[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]oxy-3-pyridinyl]propanamide
SMILESCCC(=O)Nc1cncc(Oc2ccc3c(c2)c(C=O)nn3C2CCCCO2)c1
InChIInChI=1S/C21H22N4O4/c1-2-20(27)23-14-9-16(12-22-11-14)29-15-6-7-19-17(10-15)18(13-26)24-25(19)21-5-3-4-8-28-21/h6-7,9-13,21H,2-5,8H2,1H3,(H,23,27)
InChIKeyMZSVRRRXSYZIBV-UHFFFAOYSA-N
XLogP4.08
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 54.08
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]propanamide?
The IUPAC name of N-[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]oxy-3-pyridinyl]propanamide (CID 156528739) is N-[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]oxy-3-pyridinyl]propanamide.
What is the SMILES notation for N-[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]oxy-3-pyridinyl]propanamide?
The canonical SMILES for N-[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]oxy-3-pyridinyl]propanamide is CCC(=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]propanamide?
The InChIKey is MZSVRRRXSYZIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-2-20(27)23-14-9-16(12-22-11-14)29-15-6-7-19-17(10-15)18(13-26)24-25(19)21-5-3-4-8-28-21/h6-7,9-13,21H,2-5,8H2,1H3,(H,23,27).
What are the key properties of N-[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]oxy-3-pyridinyl]propanamide?
N-[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]oxy-3-pyridinyl]propanamide has a molecular weight of 394.43 g/mol, XLogP of 4.08, 6 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]propanamide is sourced from PubChem (CID 156528739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).