N-[(3R)-1-deuteriopiperidin-3-yl]-4-(2-methoxy-4-methylphenyl)thieno[2,3-d]pyridazin-7-amine

C19H22N4OS — CID 175827469

IUPACN-[(3R)-1-deuteriopiperidin-3-yl]-4-(2-methoxy-4-methylphenyl)thieno[2,3-d]pyridazin-7-amine
SMILES[2H]N1CCC[C@@H](Nc2nnc(-c3ccc(C)cc3OC)c3ccsc23)C1
InChIInChI=1S/C19H22N4OS/c1-12-5-6-14(16(10-12)24-2)17-15-7-9-25-18(15)19(23-22-17)21-13-4-3-8-20-11-13/h5-7,9-10,13,20H,3-4,8,11H2,1-2H3,(H,21,23)/t13-/m1/s1/i/hD
InChIKeyIZYDKZPRTKXOFG-CMMLRFBOSA-N
MW355.49 g/mol
LogP3.84
Rot. Bonds4

About N-[(3R)-1-deuteriopiperidin-3-yl]-4-(2-methoxy-4-methylphenyl)thieno[2,3-d]pyridazin-7-amine

N-[(3R)-1-deuteriopiperidin-3-yl]-4-(2-methoxy-4-methylphenyl)thieno[2,3-d]pyridazin-7-amine (PubChem CID 175827469) has the molecular formula C19H22N4OS and a molecular weight of 355.49 g/mol. Its IUPAC name is N-[(3R)-1-deuteriopiperidin-3-yl]-4-(2-methoxy-4-methylphenyl)thieno[2,3-d]pyridazin-7-amine.

Molecular Properties

Compound NameN-[(3R)-1-deuteriopiperidin-3-yl]-4-(2-methoxy-4-methylphenyl)thieno[2,3-d]pyridazin-7-amine
PubChem CID175827469
Molecular FormulaC19H22N4OS
Molecular Weight355.49 g/mol
Exact Mass355.16
IUPAC NameN-[(3R)-1-deuteriopiperidin-3-yl]-4-(2-methoxy-4-methylphenyl)thieno[2,3-d]pyridazin-7-amine
SMILES[2H]N1CCC[C@@H](Nc2nnc(-c3ccc(C)cc3OC)c3ccsc23)C1
InChIInChI=1S/C19H22N4OS/c1-12-5-6-14(16(10-12)24-2)17-15-7-9-25-18(15)19(23-22-17)21-13-4-3-8-20-11-13/h5-7,9-10,13,20H,3-4,8,11H2,1-2H3,(H,21,23)/t13-/m1/s1/i/hD
InChIKeyIZYDKZPRTKXOFG-CMMLRFBOSA-N
XLogP3.84
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(3R)-1-deuteriopiperidin-3-yl]-4-(2-methoxy-4-methylphenyl)thieno[2,3-d]pyridazin-7-amine with MolForge

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Related Compounds

4-(2-methoxy-4-methylphenyl)-N-(8-oxabicyclo[3.2.1]octan-3-yl)phthalazin-1-amine
CID 176862074
1-(2-methoxy-4-methylphenyl)-N-[(1R,5S)-8-oxabicyclo[3.2.1]octan-3-yl]pyrido[3,4-d]pyridazin-4-amine
CID 171553774
(3R)-3-[[7-bromo-4-(2-methoxy-4-methylphenyl)phthalazin-1-yl]amino]piperidine-1-carboxylic acid
CID 175368317
N-(6,6-dimethyloxan-3-yl)-1-(2-methoxy-4-methylphenyl)pyrido[3,4-d]pyridazin-4-amine
CID 170172737
tert-butyl (3R)-3-[[1-(2-methoxy-4-methylphenyl)pyrido[3,4-d]pyridazin-4-yl]amino]piperidine-1-carboxylate
CID 166151316
tert-butyl (3R)-3-[[7-cyclopropyl-4-(2-methoxy-4-methylphenyl)phthalazin-1-yl]amino]piperidine-1-carboxylate
CID 166151209
tert-butyl (3R)-3-[[4-(2-methoxy-4-methylphenyl)-7-(trifluoromethyl)phthalazin-1-yl]amino]piperidine-1-carboxylate
CID 166151325
2-[5-bromo-4-[[(3R)-piperidin-3-yl]amino]phthalazin-1-yl]-5-methylphenol
CID 166151423
tert-butyl (3R)-3-[[1-(2-methoxy-4-methylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]amino]piperidine-1-carboxylate
CID 166151367
2-[7-[(1-methylpiperidin-3-yl)amino]thieno[2,3-d]pyridazin-4-yl]-5-(trifluoromethyl)phenol
CID 166460017
3-methoxy-4-[4-[[(3R)-1-methylpiperidin-3-yl]amino]phthalazin-1-yl]benzonitrile
CID 166151237
formamide;6-[2-methoxy-4-(trifluoromethyl)phenyl]-N,5-dimethyl-3-(piperidin-3-ylamino)pyridazine-4-carboxamide
CID 178140860

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-deuteriopiperidin-3-yl]-4-(2-methoxy-4-methylphenyl)thieno[2,3-d]pyridazin-7-amine?
The IUPAC name of N-[(3R)-1-deuteriopiperidin-3-yl]-4-(2-methoxy-4-methylphenyl)thieno[2,3-d]pyridazin-7-amine (CID 175827469) is N-[(3R)-1-deuteriopiperidin-3-yl]-4-(2-methoxy-4-methylphenyl)thieno[2,3-d]pyridazin-7-amine.
What is the SMILES notation for N-[(3R)-1-deuteriopiperidin-3-yl]-4-(2-methoxy-4-methylphenyl)thieno[2,3-d]pyridazin-7-amine?
The canonical SMILES for N-[(3R)-1-deuteriopiperidin-3-yl]-4-(2-methoxy-4-methylphenyl)thieno[2,3-d]pyridazin-7-amine is [2H]N1CCC[C@@H](Nc2nnc(-c3ccc(C)cc3OC)c3ccsc23)C1.
What is the InChIKey of N-[(3R)-1-deuteriopiperidin-3-yl]-4-(2-methoxy-4-methylphenyl)thieno[2,3-d]pyridazin-7-amine?
The InChIKey is IZYDKZPRTKXOFG-CMMLRFBOSA-N. The full InChI is InChI=1S/C19H22N4OS/c1-12-5-6-14(16(10-12)24-2)17-15-7-9-25-18(15)19(23-22-17)21-13-4-3-8-20-11-13/h5-7,9-10,13,20H,3-4,8,11H2,1-2H3,(H,21,23)/t13-/m1/s1/i/hD.
What are the key properties of N-[(3R)-1-deuteriopiperidin-3-yl]-4-(2-methoxy-4-methylphenyl)thieno[2,3-d]pyridazin-7-amine?
N-[(3R)-1-deuteriopiperidin-3-yl]-4-(2-methoxy-4-methylphenyl)thieno[2,3-d]pyridazin-7-amine has a molecular weight of 355.49 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-deuteriopiperidin-3-yl]-4-(2-methoxy-4-methylphenyl)thieno[2,3-d]pyridazin-7-amine is sourced from PubChem (CID 175827469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).