(3R,4R)-4-(cyclohexylamino)-1-[6-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridazin-3-yl]piperidin-3-ol

C19H28N6O2 — CID 73296192

IUPAC(3R,4R)-4-(cyclohexylamino)-1-[6-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridazin-3-yl]piperidin-3-ol
SMILESCc1cc(-c2nc(C)no2)c(N2CC[C@@H](NC3CCCCC3)[C@H](O)C2)nn1
InChIInChI=1S/C19H28N6O2/c1-12-10-15(19-20-13(2)24-27-19)18(23-22-12)25-9-8-16(17(26)11-25)21-14-6-4-3-5-7-14/h10,14,16-17,21,26H,3-9,11H2,1-2H3/t16-,17-/m1/s1
InChIKeyFYBRTMKEICTRCK-IAGOWNOFSA-N
MW372.47 g/mol
LogP2.01
Rot. Bonds4

About (3R,4R)-4-(cyclohexylamino)-1-[6-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridazin-3-yl]piperidin-3-ol

(3R,4R)-4-(cyclohexylamino)-1-[6-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridazin-3-yl]piperidin-3-ol (PubChem CID 73296192) has the molecular formula C19H28N6O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is (3R,4R)-4-(cyclohexylamino)-1-[6-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridazin-3-yl]piperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-(cyclohexylamino)-1-[6-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridazin-3-yl]piperidin-3-ol
PubChem CID73296192
Molecular FormulaC19H28N6O2
Molecular Weight372.47 g/mol
Exact Mass372.23
IUPAC Name(3R,4R)-4-(cyclohexylamino)-1-[6-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridazin-3-yl]piperidin-3-ol
SMILESCc1cc(-c2nc(C)no2)c(N2CC[C@@H](NC3CCCCC3)[C@H](O)C2)nn1
InChIInChI=1S/C19H28N6O2/c1-12-10-15(19-20-13(2)24-27-19)18(23-22-12)25-9-8-16(17(26)11-25)21-14-6-4-3-5-7-14/h10,14,16-17,21,26H,3-9,11H2,1-2H3/t16-,17-/m1/s1
InChIKeyFYBRTMKEICTRCK-IAGOWNOFSA-N
XLogP2.01
TPSA100.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(cyclohexylamino)-1-[6-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridazin-3-yl]piperidin-3-ol?
The IUPAC name of (3R,4R)-4-(cyclohexylamino)-1-[6-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridazin-3-yl]piperidin-3-ol (CID 73296192) is (3R,4R)-4-(cyclohexylamino)-1-[6-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridazin-3-yl]piperidin-3-ol.
What is the SMILES notation for (3R,4R)-4-(cyclohexylamino)-1-[6-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridazin-3-yl]piperidin-3-ol?
The canonical SMILES for (3R,4R)-4-(cyclohexylamino)-1-[6-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridazin-3-yl]piperidin-3-ol is Cc1cc(-c2nc(C)no2)c(N2CC[C@@H](NC3CCCCC3)[C@H](O)C2)nn1.
What is the InChIKey of (3R,4R)-4-(cyclohexylamino)-1-[6-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridazin-3-yl]piperidin-3-ol?
The InChIKey is FYBRTMKEICTRCK-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H28N6O2/c1-12-10-15(19-20-13(2)24-27-19)18(23-22-12)25-9-8-16(17(26)11-25)21-14-6-4-3-5-7-14/h10,14,16-17,21,26H,3-9,11H2,1-2H3/t16-,17-/m1/s1.
What are the key properties of (3R,4R)-4-(cyclohexylamino)-1-[6-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridazin-3-yl]piperidin-3-ol?
(3R,4R)-4-(cyclohexylamino)-1-[6-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridazin-3-yl]piperidin-3-ol has a molecular weight of 372.47 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(cyclohexylamino)-1-[6-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridazin-3-yl]piperidin-3-ol is sourced from PubChem (CID 73296192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).