4-methyl-8-(1-methylpiperidin-3-yl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrido[2,3-c]pyridazine

C21H25F3N4 — CID 171826546

IUPAC4-methyl-8-(1-methylpiperidin-3-yl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrido[2,3-c]pyridazine
SMILESCc1c(-c2ccc(C(F)(F)F)cc2)nnc2c1CCCN2C1CCCN(C)C1
InChIInChI=1S/C21H25F3N4/c1-14-18-6-4-12-28(17-5-3-11-27(2)13-17)20(18)26-25-19(14)15-7-9-16(10-8-15)21(22,23)24/h7-10,17H,3-6,11-13H2,1-2H3
InChIKeyDEHGHTITDKLDGO-UHFFFAOYSA-N
MW390.45 g/mol
LogP4.32
Rot. Bonds2

About 4-methyl-8-(1-methylpiperidin-3-yl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrido[2,3-c]pyridazine

4-methyl-8-(1-methylpiperidin-3-yl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrido[2,3-c]pyridazine (PubChem CID 171826546) has the molecular formula C21H25F3N4 and a molecular weight of 390.45 g/mol. Its IUPAC name is 4-methyl-8-(1-methylpiperidin-3-yl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrido[2,3-c]pyridazine.

Molecular Properties

Compound Name4-methyl-8-(1-methylpiperidin-3-yl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrido[2,3-c]pyridazine
PubChem CID171826546
Molecular FormulaC21H25F3N4
Molecular Weight390.45 g/mol
Exact Mass390.20
IUPAC Name4-methyl-8-(1-methylpiperidin-3-yl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrido[2,3-c]pyridazine
SMILESCc1c(-c2ccc(C(F)(F)F)cc2)nnc2c1CCCN2C1CCCN(C)C1
InChIInChI=1S/C21H25F3N4/c1-14-18-6-4-12-28(17-5-3-11-27(2)13-17)20(18)26-25-19(14)15-7-9-16(10-8-15)21(22,23)24/h7-10,17H,3-6,11-13H2,1-2H3
InChIKeyDEHGHTITDKLDGO-UHFFFAOYSA-N
XLogP4.32
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
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
5-fluoro-2-[4-methyl-7-[(3R)-1-methylpiperidin-3-yl]-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]phenol
CID 171826679
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
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-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
2-[4-methyl-8-[(3R)-piperidin-3-yl]-6,7-dihydro-5H-pyrido[2,3-c]pyridazin-3-yl]-5-(trifluoromethyl)phenol;hydrochloride
CID 171837872
N-[(3R)-1-methylpiperidin-3-yl]-7-[4-(trifluoromethyl)phenyl]-[1,3]dioxolo[4,5-d]pyridazin-4-amine
CID 174266260
N-[(3R)-1-methylpiperidin-3-yl]-4-[4-(trifluoromethyl)phenyl]furo[2,3-d]pyridazin-7-amine
CID 174266249
N-[(3R)-1-methylpiperidin-3-yl]-4-[4-(trifluoromethyl)phenyl]-[1,2]thiazolo[4,5-d]pyridazin-7-amine
CID 174266279
7-[(3R)-1-methylpiperidin-3-yl]oxy-4-[4-(trifluoromethyl)phenyl]thieno[2,3-d]pyridazine
CID 174266465

Frequently Asked Questions

What is the IUPAC name of 4-methyl-8-(1-methylpiperidin-3-yl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrido[2,3-c]pyridazine?
The IUPAC name of 4-methyl-8-(1-methylpiperidin-3-yl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrido[2,3-c]pyridazine (CID 171826546) is 4-methyl-8-(1-methylpiperidin-3-yl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrido[2,3-c]pyridazine.
What is the SMILES notation for 4-methyl-8-(1-methylpiperidin-3-yl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrido[2,3-c]pyridazine?
The canonical SMILES for 4-methyl-8-(1-methylpiperidin-3-yl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrido[2,3-c]pyridazine is Cc1c(-c2ccc(C(F)(F)F)cc2)nnc2c1CCCN2C1CCCN(C)C1.
What is the InChIKey of 4-methyl-8-(1-methylpiperidin-3-yl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrido[2,3-c]pyridazine?
The InChIKey is DEHGHTITDKLDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F3N4/c1-14-18-6-4-12-28(17-5-3-11-27(2)13-17)20(18)26-25-19(14)15-7-9-16(10-8-15)21(22,23)24/h7-10,17H,3-6,11-13H2,1-2H3.
What are the key properties of 4-methyl-8-(1-methylpiperidin-3-yl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrido[2,3-c]pyridazine?
4-methyl-8-(1-methylpiperidin-3-yl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrido[2,3-c]pyridazine has a molecular weight of 390.45 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-8-(1-methylpiperidin-3-yl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrido[2,3-c]pyridazine is sourced from PubChem (CID 171826546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).