6-(8-fluoro-4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-N-(2-hydroxy-2-phenylethyl)pyridazine-3-carboxamide

C26H27FN4O4 — CID 46226094

IUPAC6-(8-fluoro-4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-N-(2-hydroxy-2-phenylethyl)pyridazine-3-carboxamide
SMILESO=C(NCC(O)c1ccccc1)c1ccc(N2CCC3(CC2)CC(O)c2cccc(F)c2O3)nn1
InChIInChI=1S/C26H27FN4O4/c27-19-8-4-7-18-21(32)15-26(35-24(18)19)11-13-31(14-12-26)23-10-9-20(29-30-23)25(34)28-16-22(33)17-5-2-1-3-6-17/h1-10,21-22,32-33H,11-16H2,(H,28,34)
InChIKeyDBALZNPBWHMHOG-UHFFFAOYSA-N
MW478.52 g/mol
LogP2.93
Rot. Bonds5

About 6-(8-fluoro-4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-N-(2-hydroxy-2-phenylethyl)pyridazine-3-carboxamide

6-(8-fluoro-4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-N-(2-hydroxy-2-phenylethyl)pyridazine-3-carboxamide (PubChem CID 46226094) has the molecular formula C26H27FN4O4 and a molecular weight of 478.52 g/mol. Its IUPAC name is 6-(8-fluoro-4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-N-(2-hydroxy-2-phenylethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(8-fluoro-4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-N-(2-hydroxy-2-phenylethyl)pyridazine-3-carboxamide
PubChem CID46226094
Molecular FormulaC26H27FN4O4
Molecular Weight478.52 g/mol
Exact Mass478.20
IUPAC Name6-(8-fluoro-4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-N-(2-hydroxy-2-phenylethyl)pyridazine-3-carboxamide
SMILESO=C(NCC(O)c1ccccc1)c1ccc(N2CCC3(CC2)CC(O)c2cccc(F)c2O3)nn1
InChIInChI=1S/C26H27FN4O4/c27-19-8-4-7-18-21(32)15-26(35-24(18)19)11-13-31(14-12-26)23-10-9-20(29-30-23)25(34)28-16-22(33)17-5-2-1-3-6-17/h1-10,21-22,32-33H,11-16H2,(H,28,34)
InChIKeyDBALZNPBWHMHOG-UHFFFAOYSA-N
XLogP2.93
TPSA107.81 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.52
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(8-fluoro-4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-N-(2-hydroxy-2-phenylethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(8-fluoro-4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-N-(2-hydroxy-2-phenylethyl)pyridazine-3-carboxamide (CID 46226094) is 6-(8-fluoro-4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-N-(2-hydroxy-2-phenylethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(8-fluoro-4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-N-(2-hydroxy-2-phenylethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(8-fluoro-4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-N-(2-hydroxy-2-phenylethyl)pyridazine-3-carboxamide is O=C(NCC(O)c1ccccc1)c1ccc(N2CCC3(CC2)CC(O)c2cccc(F)c2O3)nn1.
What is the InChIKey of 6-(8-fluoro-4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-N-(2-hydroxy-2-phenylethyl)pyridazine-3-carboxamide?
The InChIKey is DBALZNPBWHMHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4O4/c27-19-8-4-7-18-21(32)15-26(35-24(18)19)11-13-31(14-12-26)23-10-9-20(29-30-23)25(34)28-16-22(33)17-5-2-1-3-6-17/h1-10,21-22,32-33H,11-16H2,(H,28,34).
What are the key properties of 6-(8-fluoro-4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-N-(2-hydroxy-2-phenylethyl)pyridazine-3-carboxamide?
6-(8-fluoro-4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-N-(2-hydroxy-2-phenylethyl)pyridazine-3-carboxamide has a molecular weight of 478.52 g/mol, XLogP of 2.93, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(8-fluoro-4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-N-(2-hydroxy-2-phenylethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 46226094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).