4-(2-methylimidazol-1-yl)-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]butan-1-one

C17H24N6O — CID 56778551

IUPAC4-(2-methylimidazol-1-yl)-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]butan-1-one
SMILESCc1nccn1CCCC(=O)N1CCC(Nc2cccnn2)CC1
InChIInChI=1S/C17H24N6O/c1-14-18-9-13-22(14)10-3-5-17(24)23-11-6-15(7-12-23)20-16-4-2-8-19-21-16/h2,4,8-9,13,15H,3,5-7,10-12H2,1H3,(H,20,21)
InChIKeyBTRGTHTXJPQYCW-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.86
Rot. Bonds6

About 4-(2-methylimidazol-1-yl)-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]butan-1-one

4-(2-methylimidazol-1-yl)-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]butan-1-one (PubChem CID 56778551) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 4-(2-methylimidazol-1-yl)-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-(2-methylimidazol-1-yl)-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]butan-1-one
PubChem CID56778551
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name4-(2-methylimidazol-1-yl)-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]butan-1-one
SMILESCc1nccn1CCCC(=O)N1CCC(Nc2cccnn2)CC1
InChIInChI=1S/C17H24N6O/c1-14-18-9-13-22(14)10-3-5-17(24)23-11-6-15(7-12-23)20-16-4-2-8-19-21-16/h2,4,8-9,13,15H,3,5-7,10-12H2,1H3,(H,20,21)
InChIKeyBTRGTHTXJPQYCW-UHFFFAOYSA-N
XLogP1.86
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylimidazol-1-yl)-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]butan-1-one?
The IUPAC name of 4-(2-methylimidazol-1-yl)-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]butan-1-one (CID 56778551) is 4-(2-methylimidazol-1-yl)-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 4-(2-methylimidazol-1-yl)-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]butan-1-one?
The canonical SMILES for 4-(2-methylimidazol-1-yl)-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]butan-1-one is Cc1nccn1CCCC(=O)N1CCC(Nc2cccnn2)CC1.
What is the InChIKey of 4-(2-methylimidazol-1-yl)-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]butan-1-one?
The InChIKey is BTRGTHTXJPQYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-14-18-9-13-22(14)10-3-5-17(24)23-11-6-15(7-12-23)20-16-4-2-8-19-21-16/h2,4,8-9,13,15H,3,5-7,10-12H2,1H3,(H,20,21).
What are the key properties of 4-(2-methylimidazol-1-yl)-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]butan-1-one?
4-(2-methylimidazol-1-yl)-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]butan-1-one has a molecular weight of 328.42 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylimidazol-1-yl)-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 56778551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).