2-methyl-6-(1-methylpiperidin-4-yl)-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[3,4-d]pyridazine-1,7-dione

C24H28F3N5O2 — CID 166147388

IUPAC2-methyl-6-(1-methylpiperidin-4-yl)-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[3,4-d]pyridazine-1,7-dione
SMILESCc1c([C@@H](C)Nc2nn(C)c(=O)c3cc(=O)n(C4CCN(C)CC4)cc23)cccc1C(F)(F)F
InChIInChI=1S/C24H28F3N5O2/c1-14-17(6-5-7-20(14)24(25,26)27)15(2)28-22-19-13-32(16-8-10-30(3)11-9-16)21(33)12-18(19)23(34)31(4)29-22/h5-7,12-13,15-16H,8-11H2,1-4H3,(H,28,29)/t15-/m1/s1
InChIKeyFBTMIJHKAOSNHT-OAHLLOKOSA-N
MW475.52 g/mol
LogP3.86
Rot. Bonds4

About 2-methyl-6-(1-methylpiperidin-4-yl)-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[3,4-d]pyridazine-1,7-dione

2-methyl-6-(1-methylpiperidin-4-yl)-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[3,4-d]pyridazine-1,7-dione (PubChem CID 166147388) has the molecular formula C24H28F3N5O2 and a molecular weight of 475.52 g/mol. Its IUPAC name is 2-methyl-6-(1-methylpiperidin-4-yl)-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[3,4-d]pyridazine-1,7-dione.

Molecular Properties

Compound Name2-methyl-6-(1-methylpiperidin-4-yl)-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[3,4-d]pyridazine-1,7-dione
PubChem CID166147388
Molecular FormulaC24H28F3N5O2
Molecular Weight475.52 g/mol
Exact Mass475.22
IUPAC Name2-methyl-6-(1-methylpiperidin-4-yl)-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[3,4-d]pyridazine-1,7-dione
SMILESCc1c([C@@H](C)Nc2nn(C)c(=O)c3cc(=O)n(C4CCN(C)CC4)cc23)cccc1C(F)(F)F
InChIInChI=1S/C24H28F3N5O2/c1-14-17(6-5-7-20(14)24(25,26)27)15(2)28-22-19-13-32(16-8-10-30(3)11-9-16)21(33)12-18(19)23(34)31(4)29-22/h5-7,12-13,15-16H,8-11H2,1-4H3,(H,28,29)/t15-/m1/s1
InChIKeyFBTMIJHKAOSNHT-OAHLLOKOSA-N
XLogP3.86
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.52
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-methyl-6-(1-methylpiperidin-4-yl)-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[3,4-d]pyridazine-1,7-dione with MolForge

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Related Compounds

US10829487, Example I-114
CID 138751120
US10829487, Example I-157
CID 138751263
US10829487, Example I-158
CID 138751299
US10829487, Example I-159
CID 138751303
6-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]-8-(oxan-4-yl)-1,2,3,4-tetrahydropyrido[4,3-c][2,7]naphthyridin-9-one
CID 172908746
2-methyl-6-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]-8-(oxan-4-yl)-3,4-dihydro-1H-pyrido[4,3-c][2,7]naphthyridin-9-one
CID 178293599
(Trifluoromethyl)benzylamino)piperidine-1-carboxamide
CID 154662408
US20240051956, Example 17
CID 164555116
US20240051956, Example 30
CID 164555191
US20240279221, Example 149
CID 166147389
US20240279221, Example 20
CID 166147392
US20240279221, Example 134
CID 166147400

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(1-methylpiperidin-4-yl)-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[3,4-d]pyridazine-1,7-dione?
The IUPAC name of 2-methyl-6-(1-methylpiperidin-4-yl)-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[3,4-d]pyridazine-1,7-dione (CID 166147388) is 2-methyl-6-(1-methylpiperidin-4-yl)-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[3,4-d]pyridazine-1,7-dione.
What is the SMILES notation for 2-methyl-6-(1-methylpiperidin-4-yl)-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[3,4-d]pyridazine-1,7-dione?
The canonical SMILES for 2-methyl-6-(1-methylpiperidin-4-yl)-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[3,4-d]pyridazine-1,7-dione is Cc1c([C@@H](C)Nc2nn(C)c(=O)c3cc(=O)n(C4CCN(C)CC4)cc23)cccc1C(F)(F)F.
What is the InChIKey of 2-methyl-6-(1-methylpiperidin-4-yl)-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[3,4-d]pyridazine-1,7-dione?
The InChIKey is FBTMIJHKAOSNHT-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H28F3N5O2/c1-14-17(6-5-7-20(14)24(25,26)27)15(2)28-22-19-13-32(16-8-10-30(3)11-9-16)21(33)12-18(19)23(34)31(4)29-22/h5-7,12-13,15-16H,8-11H2,1-4H3,(H,28,29)/t15-/m1/s1.
What are the key properties of 2-methyl-6-(1-methylpiperidin-4-yl)-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[3,4-d]pyridazine-1,7-dione?
2-methyl-6-(1-methylpiperidin-4-yl)-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[3,4-d]pyridazine-1,7-dione has a molecular weight of 475.52 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(1-methylpiperidin-4-yl)-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[3,4-d]pyridazine-1,7-dione is sourced from PubChem (CID 166147388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).