5-cyclopropyl-2-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol

C20H26N4O — CID 164544826

IUPAC5-cyclopropyl-2-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol
SMILESCc1cc(N[C@@H]2CCCN(C)C2)nnc1-c1ccc(C2CC2)cc1O
InChIInChI=1S/C20H26N4O/c1-13-10-19(21-16-4-3-9-24(2)12-16)22-23-20(13)17-8-7-15(11-18(17)25)14-5-6-14/h7-8,10-11,14,16,25H,3-6,9,12H2,1-2H3,(H,21,22)/t16-/m1/s1
InChIKeyIPOUUXRKNJIKLR-MRXNPFEDSA-N
MW338.46 g/mol
LogP3.54
Rot. Bonds4

About 5-cyclopropyl-2-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol

5-cyclopropyl-2-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol (PubChem CID 164544826) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 5-cyclopropyl-2-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name5-cyclopropyl-2-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol
PubChem CID164544826
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name5-cyclopropyl-2-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol
SMILESCc1cc(N[C@@H]2CCCN(C)C2)nnc1-c1ccc(C2CC2)cc1O
InChIInChI=1S/C20H26N4O/c1-13-10-19(21-16-4-3-9-24(2)12-16)22-23-20(13)17-8-7-15(11-18(17)25)14-5-6-14/h7-8,10-11,14,16,25H,3-6,9,12H2,1-2H3,(H,21,22)/t16-/m1/s1
InChIKeyIPOUUXRKNJIKLR-MRXNPFEDSA-N
XLogP3.54
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol?
The IUPAC name of 5-cyclopropyl-2-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol (CID 164544826) is 5-cyclopropyl-2-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol.
What is the SMILES notation for 5-cyclopropyl-2-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol?
The canonical SMILES for 5-cyclopropyl-2-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol is Cc1cc(N[C@@H]2CCCN(C)C2)nnc1-c1ccc(C2CC2)cc1O.
What is the InChIKey of 5-cyclopropyl-2-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol?
The InChIKey is IPOUUXRKNJIKLR-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H26N4O/c1-13-10-19(21-16-4-3-9-24(2)12-16)22-23-20(13)17-8-7-15(11-18(17)25)14-5-6-14/h7-8,10-11,14,16,25H,3-6,9,12H2,1-2H3,(H,21,22)/t16-/m1/s1.
What are the key properties of 5-cyclopropyl-2-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol?
5-cyclopropyl-2-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol has a molecular weight of 338.46 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol is sourced from PubChem (CID 164544826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).