4-bromo-5-[(1-cyclopropyl-5-phenylpiperidin-3-yl)amino]-2-methylpyridazin-3-one

C19H23BrN4O — CID 171527404

IUPAC4-bromo-5-[(1-cyclopropyl-5-phenylpiperidin-3-yl)amino]-2-methylpyridazin-3-one
SMILESCn1ncc(NC2CC(c3ccccc3)CN(C3CC3)C2)c(Br)c1=O
InChIInChI=1S/C19H23BrN4O/c1-23-19(25)18(20)17(10-21-23)22-15-9-14(13-5-3-2-4-6-13)11-24(12-15)16-7-8-16/h2-6,10,14-16,22H,7-9,11-12H2,1H3
InChIKeyVGVPTIPLAAZUKZ-UHFFFAOYSA-N
MW403.32 g/mol
LogP2.98
Rot. Bonds4

About 4-bromo-5-[(1-cyclopropyl-5-phenylpiperidin-3-yl)amino]-2-methylpyridazin-3-one

4-bromo-5-[(1-cyclopropyl-5-phenylpiperidin-3-yl)amino]-2-methylpyridazin-3-one (PubChem CID 171527404) has the molecular formula C19H23BrN4O and a molecular weight of 403.32 g/mol. Its IUPAC name is 4-bromo-5-[(1-cyclopropyl-5-phenylpiperidin-3-yl)amino]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-bromo-5-[(1-cyclopropyl-5-phenylpiperidin-3-yl)amino]-2-methylpyridazin-3-one
PubChem CID171527404
Molecular FormulaC19H23BrN4O
Molecular Weight403.32 g/mol
Exact Mass402.11
IUPAC Name4-bromo-5-[(1-cyclopropyl-5-phenylpiperidin-3-yl)amino]-2-methylpyridazin-3-one
SMILESCn1ncc(NC2CC(c3ccccc3)CN(C3CC3)C2)c(Br)c1=O
InChIInChI=1S/C19H23BrN4O/c1-23-19(25)18(20)17(10-21-23)22-15-9-14(13-5-3-2-4-6-13)11-24(12-15)16-7-8-16/h2-6,10,14-16,22H,7-9,11-12H2,1H3
InChIKeyVGVPTIPLAAZUKZ-UHFFFAOYSA-N
XLogP2.98
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.32
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-[(1-cyclopropyl-5-phenylpiperidin-3-yl)amino]-2-methylpyridazin-3-one?
The IUPAC name of 4-bromo-5-[(1-cyclopropyl-5-phenylpiperidin-3-yl)amino]-2-methylpyridazin-3-one (CID 171527404) is 4-bromo-5-[(1-cyclopropyl-5-phenylpiperidin-3-yl)amino]-2-methylpyridazin-3-one.
What is the SMILES notation for 4-bromo-5-[(1-cyclopropyl-5-phenylpiperidin-3-yl)amino]-2-methylpyridazin-3-one?
The canonical SMILES for 4-bromo-5-[(1-cyclopropyl-5-phenylpiperidin-3-yl)amino]-2-methylpyridazin-3-one is Cn1ncc(NC2CC(c3ccccc3)CN(C3CC3)C2)c(Br)c1=O.
What is the InChIKey of 4-bromo-5-[(1-cyclopropyl-5-phenylpiperidin-3-yl)amino]-2-methylpyridazin-3-one?
The InChIKey is VGVPTIPLAAZUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN4O/c1-23-19(25)18(20)17(10-21-23)22-15-9-14(13-5-3-2-4-6-13)11-24(12-15)16-7-8-16/h2-6,10,14-16,22H,7-9,11-12H2,1H3.
What are the key properties of 4-bromo-5-[(1-cyclopropyl-5-phenylpiperidin-3-yl)amino]-2-methylpyridazin-3-one?
4-bromo-5-[(1-cyclopropyl-5-phenylpiperidin-3-yl)amino]-2-methylpyridazin-3-one has a molecular weight of 403.32 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-[(1-cyclopropyl-5-phenylpiperidin-3-yl)amino]-2-methylpyridazin-3-one is sourced from PubChem (CID 171527404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).