1'-(6-pyridin-3-ylpyridazin-3-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]

C22H22N4O — CID 90872781

IUPAC1'-(6-pyridin-3-ylpyridazin-3-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]
SMILESc1cncc(-c2ccc(N3CCC4(CCc5ccccc5O4)CC3)nn2)c1
InChIInChI=1S/C22H22N4O/c1-2-6-20-17(4-1)9-10-22(27-20)11-14-26(15-12-22)21-8-7-19(24-25-21)18-5-3-13-23-16-18/h1-8,13,16H,9-12,14-15H2
InChIKeyZVTRGRLVKQXJBT-UHFFFAOYSA-N
MW358.45 g/mol
LogP3.90
Rot. Bonds2

About 1'-(6-pyridin-3-ylpyridazin-3-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]

1'-(6-pyridin-3-ylpyridazin-3-yl)spiro[3,4-dihydrochromene-2,4'-piperidine] (PubChem CID 90872781) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is 1'-(6-pyridin-3-ylpyridazin-3-yl)spiro[3,4-dihydrochromene-2,4'-piperidine].

Molecular Properties

Compound Name1'-(6-pyridin-3-ylpyridazin-3-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]
PubChem CID90872781
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC Name1'-(6-pyridin-3-ylpyridazin-3-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]
SMILESc1cncc(-c2ccc(N3CCC4(CCc5ccccc5O4)CC3)nn2)c1
InChIInChI=1S/C22H22N4O/c1-2-6-20-17(4-1)9-10-22(27-20)11-14-26(15-12-22)21-8-7-19(24-25-21)18-5-3-13-23-16-18/h1-8,13,16H,9-12,14-15H2
InChIKeyZVTRGRLVKQXJBT-UHFFFAOYSA-N
XLogP3.90
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1'-(6-pyridin-3-ylpyridazin-3-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]?
The IUPAC name of 1'-(6-pyridin-3-ylpyridazin-3-yl)spiro[3,4-dihydrochromene-2,4'-piperidine] (CID 90872781) is 1'-(6-pyridin-3-ylpyridazin-3-yl)spiro[3,4-dihydrochromene-2,4'-piperidine].
What is the SMILES notation for 1'-(6-pyridin-3-ylpyridazin-3-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]?
The canonical SMILES for 1'-(6-pyridin-3-ylpyridazin-3-yl)spiro[3,4-dihydrochromene-2,4'-piperidine] is c1cncc(-c2ccc(N3CCC4(CCc5ccccc5O4)CC3)nn2)c1.
What is the InChIKey of 1'-(6-pyridin-3-ylpyridazin-3-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]?
The InChIKey is ZVTRGRLVKQXJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-2-6-20-17(4-1)9-10-22(27-20)11-14-26(15-12-22)21-8-7-19(24-25-21)18-5-3-13-23-16-18/h1-8,13,16H,9-12,14-15H2.
What are the key properties of 1'-(6-pyridin-3-ylpyridazin-3-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]?
1'-(6-pyridin-3-ylpyridazin-3-yl)spiro[3,4-dihydrochromene-2,4'-piperidine] has a molecular weight of 358.45 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(6-pyridin-3-ylpyridazin-3-yl)spiro[3,4-dihydrochromene-2,4'-piperidine] is sourced from PubChem (CID 90872781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).