6-[(3-chloro-1-propan-2-ylindazol-5-yl)methoxy]naphthalene-2-carbaldehyde

C22H19ClN2O2 — CID 90356371

IUPAC6-[(3-chloro-1-propan-2-ylindazol-5-yl)methoxy]naphthalene-2-carbaldehyde
SMILESCC(C)n1nc(Cl)c2cc(COc3ccc4cc(C=O)ccc4c3)ccc21
InChIInChI=1S/C22H19ClN2O2/c1-14(2)25-21-8-4-16(10-20(21)22(23)24-25)13-27-19-7-6-17-9-15(12-26)3-5-18(17)11-19/h3-12,14H,13H2,1-2H3
InChIKeyRIUFMDGVQXIZDW-UHFFFAOYSA-N
MW378.86 g/mol
LogP5.82
Rot. Bonds5

About 6-[(3-chloro-1-propan-2-ylindazol-5-yl)methoxy]naphthalene-2-carbaldehyde

6-[(3-chloro-1-propan-2-ylindazol-5-yl)methoxy]naphthalene-2-carbaldehyde (PubChem CID 90356371) has the molecular formula C22H19ClN2O2 and a molecular weight of 378.86 g/mol. Its IUPAC name is 6-[(3-chloro-1-propan-2-ylindazol-5-yl)methoxy]naphthalene-2-carbaldehyde.

Molecular Properties

Compound Name6-[(3-chloro-1-propan-2-ylindazol-5-yl)methoxy]naphthalene-2-carbaldehyde
PubChem CID90356371
Molecular FormulaC22H19ClN2O2
Molecular Weight378.86 g/mol
Exact Mass378.11
IUPAC Name6-[(3-chloro-1-propan-2-ylindazol-5-yl)methoxy]naphthalene-2-carbaldehyde
SMILESCC(C)n1nc(Cl)c2cc(COc3ccc4cc(C=O)ccc4c3)ccc21
InChIInChI=1S/C22H19ClN2O2/c1-14(2)25-21-8-4-16(10-20(21)22(23)24-25)13-27-19-7-6-17-9-15(12-26)3-5-18(17)11-19/h3-12,14H,13H2,1-2H3
InChIKeyRIUFMDGVQXIZDW-UHFFFAOYSA-N
XLogP5.82
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.86
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-chloro-1-propan-2-ylindazol-5-yl)methoxy]naphthalene-2-carbaldehyde?
The IUPAC name of 6-[(3-chloro-1-propan-2-ylindazol-5-yl)methoxy]naphthalene-2-carbaldehyde (CID 90356371) is 6-[(3-chloro-1-propan-2-ylindazol-5-yl)methoxy]naphthalene-2-carbaldehyde.
What is the SMILES notation for 6-[(3-chloro-1-propan-2-ylindazol-5-yl)methoxy]naphthalene-2-carbaldehyde?
The canonical SMILES for 6-[(3-chloro-1-propan-2-ylindazol-5-yl)methoxy]naphthalene-2-carbaldehyde is CC(C)n1nc(Cl)c2cc(COc3ccc4cc(C=O)ccc4c3)ccc21.
What is the InChIKey of 6-[(3-chloro-1-propan-2-ylindazol-5-yl)methoxy]naphthalene-2-carbaldehyde?
The InChIKey is RIUFMDGVQXIZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O2/c1-14(2)25-21-8-4-16(10-20(21)22(23)24-25)13-27-19-7-6-17-9-15(12-26)3-5-18(17)11-19/h3-12,14H,13H2,1-2H3.
What are the key properties of 6-[(3-chloro-1-propan-2-ylindazol-5-yl)methoxy]naphthalene-2-carbaldehyde?
6-[(3-chloro-1-propan-2-ylindazol-5-yl)methoxy]naphthalene-2-carbaldehyde has a molecular weight of 378.86 g/mol, XLogP of 5.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-chloro-1-propan-2-ylindazol-5-yl)methoxy]naphthalene-2-carbaldehyde is sourced from PubChem (CID 90356371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).