1-(3-fluoro-4-methoxyphenyl)-N-[(3R)-1-methylpiperidin-3-yl]pyrido[3,4-d]pyridazin-4-amine

C20H22FN5O — CID 169230290

IUPAC1-(3-fluoro-4-methoxyphenyl)-N-[(3R)-1-methylpiperidin-3-yl]pyrido[3,4-d]pyridazin-4-amine
SMILESCOc1ccc(-c2nnc(N[C@@H]3CCCN(C)C3)c3cnccc23)cc1F
InChIInChI=1S/C20H22FN5O/c1-26-9-3-4-14(12-26)23-20-16-11-22-8-7-15(16)19(24-25-20)13-5-6-18(27-2)17(21)10-13/h5-8,10-11,14H,3-4,9,12H2,1-2H3,(H,23,25)/t14-/m1/s1
InChIKeyUUFZGMOHCPMCSO-CQSZACIVSA-N
MW367.43 g/mol
LogP3.35
Rot. Bonds4

About 1-(3-fluoro-4-methoxyphenyl)-N-[(3R)-1-methylpiperidin-3-yl]pyrido[3,4-d]pyridazin-4-amine

1-(3-fluoro-4-methoxyphenyl)-N-[(3R)-1-methylpiperidin-3-yl]pyrido[3,4-d]pyridazin-4-amine (PubChem CID 169230290) has the molecular formula C20H22FN5O and a molecular weight of 367.43 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-N-[(3R)-1-methylpiperidin-3-yl]pyrido[3,4-d]pyridazin-4-amine.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-N-[(3R)-1-methylpiperidin-3-yl]pyrido[3,4-d]pyridazin-4-amine
PubChem CID169230290
Molecular FormulaC20H22FN5O
Molecular Weight367.43 g/mol
Exact Mass367.18
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-N-[(3R)-1-methylpiperidin-3-yl]pyrido[3,4-d]pyridazin-4-amine
SMILESCOc1ccc(-c2nnc(N[C@@H]3CCCN(C)C3)c3cnccc23)cc1F
InChIInChI=1S/C20H22FN5O/c1-26-9-3-4-14(12-26)23-20-16-11-22-8-7-15(16)19(24-25-20)13-5-6-18(27-2)17(21)10-13/h5-8,10-11,14H,3-4,9,12H2,1-2H3,(H,23,25)/t14-/m1/s1
InChIKeyUUFZGMOHCPMCSO-CQSZACIVSA-N
XLogP3.35
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(3-fluoro-4-methoxyphenyl)-N-[(3R)-1-methylpiperidin-3-yl]pyrido[3,4-d]pyridazin-4-amine with MolForge

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Related Compounds

1-[4-methoxy-2-(trifluoromethyl)phenyl]-N-[(3R)-1-methylpiperidin-3-yl]pyrido[3,4-d]pyridazin-4-amine
CID 171852341
N-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]-1-(4-methoxyphenyl)pyrido[3,4-d]pyridazin-4-amine
CID 169230521
1-(2,4-dimethylphenyl)-N-[(3R)-1-methylpiperidin-3-yl]pyrido[3,4-d]pyridazin-4-amine
CID 171852703
formic acid;5-methoxy-2-[4-[[(3R)-1-methylpiperidin-3-yl]amino]pyrido[3,4-d]pyridazin-1-yl]phenol
CID 175599345
N-[(3R)-1-methylpiperidin-3-yl]-1-[4-methyl-2-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazin-4-amine
CID 171852574
1-[2-(difluoromethyl)phenyl]-N-(1-methylpiperidin-3-yl)pyrido[3,4-d]pyridazin-4-amine
CID 170165090
5-methyl-2-[4-[[(3R)-1-methylpiperidin-3-yl]amino]pyrido[3,4-d]pyridazin-1-yl]benzonitrile
CID 171852773
N-[(3R)-1-methylpiperidin-3-yl]-1-[2-(1H-pyrazol-4-yl)-4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazin-4-amine
CID 171852526
5-ethynyl-2-[4-[[(3R)-1-methylpiperidin-3-yl]amino]pyrido[3,4-d]pyridazin-1-yl]phenol
CID 168973541
N-[(3R)-1-methylpiperidin-3-yl]-1-[2-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazin-4-amine
CID 171852633
6-methyl-3-[4-[[(3R)-1-methylpiperidin-3-yl]amino]pyrido[3,4-d]pyridazin-1-yl]-1H-pyridin-2-one
CID 171852475
2-[1-[[(3R)-1-methylpiperidin-3-yl]amino]pyrido[3,4-d]pyridazin-4-yl]-5-(trifluoromethyl)phenol
CID 166518693

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-N-[(3R)-1-methylpiperidin-3-yl]pyrido[3,4-d]pyridazin-4-amine?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-N-[(3R)-1-methylpiperidin-3-yl]pyrido[3,4-d]pyridazin-4-amine (CID 169230290) is 1-(3-fluoro-4-methoxyphenyl)-N-[(3R)-1-methylpiperidin-3-yl]pyrido[3,4-d]pyridazin-4-amine.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-N-[(3R)-1-methylpiperidin-3-yl]pyrido[3,4-d]pyridazin-4-amine?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-N-[(3R)-1-methylpiperidin-3-yl]pyrido[3,4-d]pyridazin-4-amine is COc1ccc(-c2nnc(N[C@@H]3CCCN(C)C3)c3cnccc23)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-N-[(3R)-1-methylpiperidin-3-yl]pyrido[3,4-d]pyridazin-4-amine?
The InChIKey is UUFZGMOHCPMCSO-CQSZACIVSA-N. The full InChI is InChI=1S/C20H22FN5O/c1-26-9-3-4-14(12-26)23-20-16-11-22-8-7-15(16)19(24-25-20)13-5-6-18(27-2)17(21)10-13/h5-8,10-11,14H,3-4,9,12H2,1-2H3,(H,23,25)/t14-/m1/s1.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-N-[(3R)-1-methylpiperidin-3-yl]pyrido[3,4-d]pyridazin-4-amine?
1-(3-fluoro-4-methoxyphenyl)-N-[(3R)-1-methylpiperidin-3-yl]pyrido[3,4-d]pyridazin-4-amine has a molecular weight of 367.43 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-N-[(3R)-1-methylpiperidin-3-yl]pyrido[3,4-d]pyridazin-4-amine is sourced from PubChem (CID 169230290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).