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

C19H24N4O — CID 167138214

IUPAC5-cyclopropyl-2-[4-methyl-6-[[(3R)-piperidin-3-yl]amino]pyridazin-3-yl]phenol
SMILESCc1cc(N[C@@H]2CCCNC2)nnc1-c1ccc(C2CC2)cc1O
InChIInChI=1S/C19H24N4O/c1-12-9-18(21-15-3-2-8-20-11-15)22-23-19(12)16-7-6-14(10-17(16)24)13-4-5-13/h6-7,9-10,13,15,20,24H,2-5,8,11H2,1H3,(H,21,22)/t15-/m1/s1
InChIKeyJQDMESJOCIRAIR-OAHLLOKOSA-N
MW324.43 g/mol
LogP3.20
Rot. Bonds4

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

5-cyclopropyl-2-[4-methyl-6-[[(3R)-piperidin-3-yl]amino]pyridazin-3-yl]phenol (PubChem CID 167138214) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 5-cyclopropyl-2-[4-methyl-6-[[(3R)-piperidin-3-yl]amino]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name5-cyclopropyl-2-[4-methyl-6-[[(3R)-piperidin-3-yl]amino]pyridazin-3-yl]phenol
PubChem CID167138214
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name5-cyclopropyl-2-[4-methyl-6-[[(3R)-piperidin-3-yl]amino]pyridazin-3-yl]phenol
SMILESCc1cc(N[C@@H]2CCCNC2)nnc1-c1ccc(C2CC2)cc1O
InChIInChI=1S/C19H24N4O/c1-12-9-18(21-15-3-2-8-20-11-15)22-23-19(12)16-7-6-14(10-17(16)24)13-4-5-13/h6-7,9-10,13,15,20,24H,2-5,8,11H2,1H3,(H,21,22)/t15-/m1/s1
InChIKeyJQDMESJOCIRAIR-OAHLLOKOSA-N
XLogP3.20
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-3-[4-methyl-6-[[(3R)-piperidin-3-yl]amino]pyridazin-3-yl]-6-(trifluoromethyl)benzoic acid
CID 178140922
5-ethynyl-2-[6-[[(3R)-piperidin-3-yl]amino]-4-(trifluoromethyl)pyridazin-3-yl]phenol
CID 171545243
2-[6-[[(3R,6S)-6-(2-hydroxypropan-2-yl)piperidin-3-yl]amino]-4-methylpyridazin-3-yl]-5-(trifluoromethyl)phenol
CID 178140341
2-[6-[[(3R)-1-(azetidin-3-ylmethyl)piperidin-3-yl]amino]-4-methylpyridazin-3-yl]-5-(trifluoromethyl)phenol
CID 171838046
6-(3-fluoro-1H-indol-6-yl)-5-methyl-N-[(3R)-piperidin-3-yl]pyridazin-3-amine;hydrochloride
CID 178140499
2-methyl-4-piperidin-3-ylphenol
CID 84663479
2-[4-methyl-6-[[(3S)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-5-phenylphenol
CID 170442310
6-N-cyclobutyl-2-methyl-4-N-piperidin-3-ylpyrimidine-4,6-diamine
CID 115266503
2-[4-methyl-6-[[(3S)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-5-methylsulfonylphenol
CID 170442521
formic acid;3-(methoxymethyl)-2-[4-methyl-6-(piperidin-3-ylamino)pyridazin-3-yl]-5-(trifluoromethyl)phenol
CID 178140760
2-[5-bromo-4-[[(3R)-piperidin-3-yl]amino]phthalazin-1-yl]-5-methylphenol
CID 166151423
6-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-2,3-dihydro-1H-inden-5-ol
CID 164544832

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-[4-methyl-6-[[(3R)-piperidin-3-yl]amino]pyridazin-3-yl]phenol?
The IUPAC name of 5-cyclopropyl-2-[4-methyl-6-[[(3R)-piperidin-3-yl]amino]pyridazin-3-yl]phenol (CID 167138214) is 5-cyclopropyl-2-[4-methyl-6-[[(3R)-piperidin-3-yl]amino]pyridazin-3-yl]phenol.
What is the SMILES notation for 5-cyclopropyl-2-[4-methyl-6-[[(3R)-piperidin-3-yl]amino]pyridazin-3-yl]phenol?
The canonical SMILES for 5-cyclopropyl-2-[4-methyl-6-[[(3R)-piperidin-3-yl]amino]pyridazin-3-yl]phenol is Cc1cc(N[C@@H]2CCCNC2)nnc1-c1ccc(C2CC2)cc1O.
What is the InChIKey of 5-cyclopropyl-2-[4-methyl-6-[[(3R)-piperidin-3-yl]amino]pyridazin-3-yl]phenol?
The InChIKey is JQDMESJOCIRAIR-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H24N4O/c1-12-9-18(21-15-3-2-8-20-11-15)22-23-19(12)16-7-6-14(10-17(16)24)13-4-5-13/h6-7,9-10,13,15,20,24H,2-5,8,11H2,1H3,(H,21,22)/t15-/m1/s1.
What are the key properties of 5-cyclopropyl-2-[4-methyl-6-[[(3R)-piperidin-3-yl]amino]pyridazin-3-yl]phenol?
5-cyclopropyl-2-[4-methyl-6-[[(3R)-piperidin-3-yl]amino]pyridazin-3-yl]phenol has a molecular weight of 324.43 g/mol, XLogP of 3.20, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-[4-methyl-6-[[(3R)-piperidin-3-yl]amino]pyridazin-3-yl]phenol is sourced from PubChem (CID 167138214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).