(2S)-2-imidazol-1-yl-1-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]propan-1-one

C16H22N6O — CID 95601792

IUPAC(2S)-2-imidazol-1-yl-1-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]propan-1-one
SMILESCc1ccc(NC2CCN(C(=O)[C@H](C)n3ccnc3)CC2)nn1
InChIInChI=1S/C16H22N6O/c1-12-3-4-15(20-19-12)18-14-5-8-21(9-6-14)16(23)13(2)22-10-7-17-11-22/h3-4,7,10-11,13-14H,5-6,8-9H2,1-2H3,(H,18,20)/t13-/m0/s1
InChIKeyVLJHQILDONXIMB-ZDUSSCGKSA-N
MW314.39 g/mol
LogP1.65
Rot. Bonds4

About (2S)-2-imidazol-1-yl-1-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]propan-1-one

(2S)-2-imidazol-1-yl-1-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]propan-1-one (PubChem CID 95601792) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is (2S)-2-imidazol-1-yl-1-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2S)-2-imidazol-1-yl-1-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]propan-1-one
PubChem CID95601792
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC Name(2S)-2-imidazol-1-yl-1-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]propan-1-one
SMILESCc1ccc(NC2CCN(C(=O)[C@H](C)n3ccnc3)CC2)nn1
InChIInChI=1S/C16H22N6O/c1-12-3-4-15(20-19-12)18-14-5-8-21(9-6-14)16(23)13(2)22-10-7-17-11-22/h3-4,7,10-11,13-14H,5-6,8-9H2,1-2H3,(H,18,20)/t13-/m0/s1
InChIKeyVLJHQILDONXIMB-ZDUSSCGKSA-N
XLogP1.65
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-imidazol-1-yl-1-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]propan-1-one?
The IUPAC name of (2S)-2-imidazol-1-yl-1-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]propan-1-one (CID 95601792) is (2S)-2-imidazol-1-yl-1-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]propan-1-one.
What is the SMILES notation for (2S)-2-imidazol-1-yl-1-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]propan-1-one?
The canonical SMILES for (2S)-2-imidazol-1-yl-1-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]propan-1-one is Cc1ccc(NC2CCN(C(=O)[C@H](C)n3ccnc3)CC2)nn1.
What is the InChIKey of (2S)-2-imidazol-1-yl-1-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]propan-1-one?
The InChIKey is VLJHQILDONXIMB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H22N6O/c1-12-3-4-15(20-19-12)18-14-5-8-21(9-6-14)16(23)13(2)22-10-7-17-11-22/h3-4,7,10-11,13-14H,5-6,8-9H2,1-2H3,(H,18,20)/t13-/m0/s1.
What are the key properties of (2S)-2-imidazol-1-yl-1-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]propan-1-one?
(2S)-2-imidazol-1-yl-1-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]propan-1-one has a molecular weight of 314.39 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-imidazol-1-yl-1-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 95601792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).