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

C17H21ClN4O — CID 170381656

IUPAC5-chloro-2-[5-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol
SMILESCc1cc(-c2ccc(Cl)cc2O)nnc1N[C@@H]1CCCN(C)C1
InChIInChI=1S/C17H21ClN4O/c1-11-8-15(14-6-5-12(18)9-16(14)23)20-21-17(11)19-13-4-3-7-22(2)10-13/h5-6,8-9,13,23H,3-4,7,10H2,1-2H3,(H,19,21)/t13-/m1/s1
InChIKeySPPRRNSNSWWIPD-CYBMUJFWSA-N
MW332.84 g/mol
LogP3.32
Rot. Bonds3

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

5-chloro-2-[5-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol (PubChem CID 170381656) has the molecular formula C17H21ClN4O and a molecular weight of 332.84 g/mol. Its IUPAC name is 5-chloro-2-[5-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name5-chloro-2-[5-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol
PubChem CID170381656
Molecular FormulaC17H21ClN4O
Molecular Weight332.84 g/mol
Exact Mass332.14
IUPAC Name5-chloro-2-[5-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol
SMILESCc1cc(-c2ccc(Cl)cc2O)nnc1N[C@@H]1CCCN(C)C1
InChIInChI=1S/C17H21ClN4O/c1-11-8-15(14-6-5-12(18)9-16(14)23)20-21-17(11)19-13-4-3-7-22(2)10-13/h5-6,8-9,13,23H,3-4,7,10H2,1-2H3,(H,19,21)/t13-/m1/s1
InChIKeySPPRRNSNSWWIPD-CYBMUJFWSA-N
XLogP3.32
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.84
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-[4-[(1-methylpiperidin-3-yl)amino]phthalazin-1-yl]phenol
CID 170156820
3-methyl-2-[5-methyl-6-[[(3S)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-5-(trifluoromethyl)phenol
CID 155284541
5-chloro-3-methyl-2-[3-[(1-methylpiperidin-3-yl)amino]-1,2,4-triazin-6-yl]phenol
CID 170156002
6-(4-chloro-2-methoxyphenyl)-5-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine
CID 167137954
5-chloro-3-fluoro-N-(1-methylpiperidin-3-yl)pyridin-2-amine
CID 79728337
3-(2-hydroxy-4-prop-1-ynylphenyl)-4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]-1,2,4-triazin-5-one
CID 171545313
5-methyl-2-[4-[(1-methylpiperidin-3-yl)amino]thieno[3,4-d]pyridazin-1-yl]phenol
CID 166460066
5-chloro-2-[6-[(1-methylpiperidin-3-yl)amino]pyridazin-3-yl]-3-(trifluoromethyl)phenol
CID 155284536
3-hydroxy-4-[1-methyl-7-[[(3R)-1-methylpiperidin-3-yl]amino]pyrazolo[4,5-d]pyridazin-4-yl]benzonitrile
CID 174266714
5-bromo-2-[6-methyl-4-[[(3R)-1-methylpiperidin-3-yl]amino]phthalazin-1-yl]phenol
CID 166151317
5-bromo-2-[6-methyl-4-[(1-methylpiperidin-3-yl)amino]phthalazin-1-yl]phenol
CID 175368342
2-[6-cyclopropyl-4-[[(3R)-1-methylpiperidin-3-yl]amino]phthalazin-1-yl]-5-methylphenol
CID 166151402

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[5-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol?
The IUPAC name of 5-chloro-2-[5-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol (CID 170381656) is 5-chloro-2-[5-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol.
What is the SMILES notation for 5-chloro-2-[5-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol?
The canonical SMILES for 5-chloro-2-[5-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol is Cc1cc(-c2ccc(Cl)cc2O)nnc1N[C@@H]1CCCN(C)C1.
What is the InChIKey of 5-chloro-2-[5-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol?
The InChIKey is SPPRRNSNSWWIPD-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21ClN4O/c1-11-8-15(14-6-5-12(18)9-16(14)23)20-21-17(11)19-13-4-3-7-22(2)10-13/h5-6,8-9,13,23H,3-4,7,10H2,1-2H3,(H,19,21)/t13-/m1/s1.
What are the key properties of 5-chloro-2-[5-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol?
5-chloro-2-[5-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol has a molecular weight of 332.84 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[5-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol is sourced from PubChem (CID 170381656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).