3-chloro-4-methyl-8-[(3R)-1-(oxetan-3-yl)piperidin-3-yl]-6,7-dihydro-5H-pyrido[2,3-c]pyridazine

C16H23ClN4O — CID 171535504

IUPAC3-chloro-4-methyl-8-[(3R)-1-(oxetan-3-yl)piperidin-3-yl]-6,7-dihydro-5H-pyrido[2,3-c]pyridazine
SMILESCc1c(Cl)nnc2c1CCCN2[C@@H]1CCCN(C2COC2)C1
InChIInChI=1S/C16H23ClN4O/c1-11-14-5-3-7-21(16(14)19-18-15(11)17)12-4-2-6-20(8-12)13-9-22-10-13/h12-13H,2-10H2,1H3/t12-/m1/s1
InChIKeyJLQKHXPAJRGBMO-GFCCVEGCSA-N
MW322.84 g/mol
LogP2.05
Rot. Bonds2

About 3-chloro-4-methyl-8-[(3R)-1-(oxetan-3-yl)piperidin-3-yl]-6,7-dihydro-5H-pyrido[2,3-c]pyridazine

3-chloro-4-methyl-8-[(3R)-1-(oxetan-3-yl)piperidin-3-yl]-6,7-dihydro-5H-pyrido[2,3-c]pyridazine (PubChem CID 171535504) has the molecular formula C16H23ClN4O and a molecular weight of 322.84 g/mol. Its IUPAC name is 3-chloro-4-methyl-8-[(3R)-1-(oxetan-3-yl)piperidin-3-yl]-6,7-dihydro-5H-pyrido[2,3-c]pyridazine.

Molecular Properties

Compound Name3-chloro-4-methyl-8-[(3R)-1-(oxetan-3-yl)piperidin-3-yl]-6,7-dihydro-5H-pyrido[2,3-c]pyridazine
PubChem CID171535504
Molecular FormulaC16H23ClN4O
Molecular Weight322.84 g/mol
Exact Mass322.16
IUPAC Name3-chloro-4-methyl-8-[(3R)-1-(oxetan-3-yl)piperidin-3-yl]-6,7-dihydro-5H-pyrido[2,3-c]pyridazine
SMILESCc1c(Cl)nnc2c1CCCN2[C@@H]1CCCN(C2COC2)C1
InChIInChI=1S/C16H23ClN4O/c1-11-14-5-3-7-21(16(14)19-18-15(11)17)12-4-2-6-20(8-12)13-9-22-10-13/h12-13H,2-10H2,1H3/t12-/m1/s1
InChIKeyJLQKHXPAJRGBMO-GFCCVEGCSA-N
XLogP2.05
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-methyl-8-[(3R)-1-piperidin-4-ylpiperidin-3-yl]-6,7-dihydro-5H-pyrido[2,3-c]pyridazin-3-yl]-5-(trifluoromethyl)phenol
CID 171838036
2-(6-chloro-4,5-dimethylpyridazin-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79925334
3-chloro-5-methyl-4-[4-methyl-8-[(3R)-1-methylpiperidin-3-yl]-6,7-dihydro-5H-pyrido[2,3-c]pyridazin-3-yl]benzonitrile
CID 171826892
5-chloro-6-[4-methyl-8-[(3S)-1-methylpiperidin-3-yl]-6,7-dihydro-5H-pyrido[2,3-c]pyridazin-3-yl]pyridine-3-carbonitrile
CID 171826630
3-chloro-6-(2-cyclopentylpyrrolidin-1-yl)-4,5-dimethylpyridazine
CID 63271560
3,5-dimethyl-4-[4-methyl-8-(1-methylpiperidin-3-yl)-6,7-dihydro-5H-pyrido[2,3-c]pyridazin-3-yl]benzonitrile
CID 171826695
3-methyl-4-[4-methyl-8-[(3S)-1-methylpiperidin-3-yl]-6,7-dihydro-5H-pyrido[2,3-c]pyridazin-3-yl]benzonitrile
CID 171826859
3-[2-(difluoromethyl)-4-(trifluoromethyl)phenyl]-4-methyl-8-[(3S)-1-methylpiperidin-3-yl]-6,7-dihydro-5H-pyrido[2,3-c]pyridazine
CID 171826626
5,6-dimethyl-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyridazine-4-carbothioamide
CID 79928245
3-chloro-6-(3-methoxypiperidin-1-yl)-4,5-dimethylpyridazine
CID 102963320
3-chloro-6-(3-ethylpiperidin-1-yl)-4,5-dimethylpyridazine
CID 63271977
1-(6-chloro-4,5-dimethylpyridazin-3-yl)-2-ethylazepane
CID 104691054

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methyl-8-[(3R)-1-(oxetan-3-yl)piperidin-3-yl]-6,7-dihydro-5H-pyrido[2,3-c]pyridazine?
The IUPAC name of 3-chloro-4-methyl-8-[(3R)-1-(oxetan-3-yl)piperidin-3-yl]-6,7-dihydro-5H-pyrido[2,3-c]pyridazine (CID 171535504) is 3-chloro-4-methyl-8-[(3R)-1-(oxetan-3-yl)piperidin-3-yl]-6,7-dihydro-5H-pyrido[2,3-c]pyridazine.
What is the SMILES notation for 3-chloro-4-methyl-8-[(3R)-1-(oxetan-3-yl)piperidin-3-yl]-6,7-dihydro-5H-pyrido[2,3-c]pyridazine?
The canonical SMILES for 3-chloro-4-methyl-8-[(3R)-1-(oxetan-3-yl)piperidin-3-yl]-6,7-dihydro-5H-pyrido[2,3-c]pyridazine is Cc1c(Cl)nnc2c1CCCN2[C@@H]1CCCN(C2COC2)C1.
What is the InChIKey of 3-chloro-4-methyl-8-[(3R)-1-(oxetan-3-yl)piperidin-3-yl]-6,7-dihydro-5H-pyrido[2,3-c]pyridazine?
The InChIKey is JLQKHXPAJRGBMO-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H23ClN4O/c1-11-14-5-3-7-21(16(14)19-18-15(11)17)12-4-2-6-20(8-12)13-9-22-10-13/h12-13H,2-10H2,1H3/t12-/m1/s1.
What are the key properties of 3-chloro-4-methyl-8-[(3R)-1-(oxetan-3-yl)piperidin-3-yl]-6,7-dihydro-5H-pyrido[2,3-c]pyridazine?
3-chloro-4-methyl-8-[(3R)-1-(oxetan-3-yl)piperidin-3-yl]-6,7-dihydro-5H-pyrido[2,3-c]pyridazine has a molecular weight of 322.84 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methyl-8-[(3R)-1-(oxetan-3-yl)piperidin-3-yl]-6,7-dihydro-5H-pyrido[2,3-c]pyridazine is sourced from PubChem (CID 171535504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).