3-fluoro-4-[3-(1H-indazol-5-ylamino)piperidin-1-yl]benzaldehyde

C19H19FN4O — CID 15980215

IUPAC3-fluoro-4-[3-(1H-indazol-5-ylamino)piperidin-1-yl]benzaldehyde
SMILESO=Cc1ccc(N2CCCC(Nc3ccc4[nH]ncc4c3)C2)c(F)c1
InChIInChI=1S/C19H19FN4O/c20-17-8-13(12-25)3-6-19(17)24-7-1-2-16(11-24)22-15-4-5-18-14(9-15)10-21-23-18/h3-6,8-10,12,16,22H,1-2,7,11H2,(H,21,23)
InChIKeyTZCRVTGPZHMXLQ-UHFFFAOYSA-N
MW338.39 g/mol
LogP3.60
Rot. Bonds4

About 3-fluoro-4-[3-(1H-indazol-5-ylamino)piperidin-1-yl]benzaldehyde

3-fluoro-4-[3-(1H-indazol-5-ylamino)piperidin-1-yl]benzaldehyde (PubChem CID 15980215) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is 3-fluoro-4-[3-(1H-indazol-5-ylamino)piperidin-1-yl]benzaldehyde.

Molecular Properties

Compound Name3-fluoro-4-[3-(1H-indazol-5-ylamino)piperidin-1-yl]benzaldehyde
PubChem CID15980215
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC Name3-fluoro-4-[3-(1H-indazol-5-ylamino)piperidin-1-yl]benzaldehyde
SMILESO=Cc1ccc(N2CCCC(Nc3ccc4[nH]ncc4c3)C2)c(F)c1
InChIInChI=1S/C19H19FN4O/c20-17-8-13(12-25)3-6-19(17)24-7-1-2-16(11-24)22-15-4-5-18-14(9-15)10-21-23-18/h3-6,8-10,12,16,22H,1-2,7,11H2,(H,21,23)
InChIKeyTZCRVTGPZHMXLQ-UHFFFAOYSA-N
XLogP3.60
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.60
H-Bond Donors ≤ 52
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 3-fluoro-4-[3-(1H-indazol-5-ylamino)piperidin-1-yl]benzaldehyde?
The IUPAC name of 3-fluoro-4-[3-(1H-indazol-5-ylamino)piperidin-1-yl]benzaldehyde (CID 15980215) is 3-fluoro-4-[3-(1H-indazol-5-ylamino)piperidin-1-yl]benzaldehyde.
What is the SMILES notation for 3-fluoro-4-[3-(1H-indazol-5-ylamino)piperidin-1-yl]benzaldehyde?
The canonical SMILES for 3-fluoro-4-[3-(1H-indazol-5-ylamino)piperidin-1-yl]benzaldehyde is O=Cc1ccc(N2CCCC(Nc3ccc4[nH]ncc4c3)C2)c(F)c1.
What is the InChIKey of 3-fluoro-4-[3-(1H-indazol-5-ylamino)piperidin-1-yl]benzaldehyde?
The InChIKey is TZCRVTGPZHMXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O/c20-17-8-13(12-25)3-6-19(17)24-7-1-2-16(11-24)22-15-4-5-18-14(9-15)10-21-23-18/h3-6,8-10,12,16,22H,1-2,7,11H2,(H,21,23).
What are the key properties of 3-fluoro-4-[3-(1H-indazol-5-ylamino)piperidin-1-yl]benzaldehyde?
3-fluoro-4-[3-(1H-indazol-5-ylamino)piperidin-1-yl]benzaldehyde has a molecular weight of 338.39 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[3-(1H-indazol-5-ylamino)piperidin-1-yl]benzaldehyde is sourced from PubChem (CID 15980215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).