3-[[(2S)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]amino]-5,6-dimethylpyridazine-4-carbonitrile

C19H22FN5O — CID 52508439

IUPAC3-[[(2S)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]amino]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCc1nnc(NC[C@H](c2cccc(F)c2)N2CCOCC2)c(C#N)c1C
InChIInChI=1S/C19H22FN5O/c1-13-14(2)23-24-19(17(13)11-21)22-12-18(25-6-8-26-9-7-25)15-4-3-5-16(20)10-15/h3-5,10,18H,6-9,12H2,1-2H3,(H,22,24)/t18-/m1/s1
InChIKeyMPJYYLAXPLBCTG-GOSISDBHSA-N
MW355.42 g/mol
LogP2.59
Rot. Bonds5

About 3-[[(2S)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]amino]-5,6-dimethylpyridazine-4-carbonitrile

3-[[(2S)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]amino]-5,6-dimethylpyridazine-4-carbonitrile (PubChem CID 52508439) has the molecular formula C19H22FN5O and a molecular weight of 355.42 g/mol. Its IUPAC name is 3-[[(2S)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]amino]-5,6-dimethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[[(2S)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]amino]-5,6-dimethylpyridazine-4-carbonitrile
PubChem CID52508439
Molecular FormulaC19H22FN5O
Molecular Weight355.42 g/mol
Exact Mass355.18
IUPAC Name3-[[(2S)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]amino]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCc1nnc(NC[C@H](c2cccc(F)c2)N2CCOCC2)c(C#N)c1C
InChIInChI=1S/C19H22FN5O/c1-13-14(2)23-24-19(17(13)11-21)22-12-18(25-6-8-26-9-7-25)15-4-3-5-16(20)10-15/h3-5,10,18H,6-9,12H2,1-2H3,(H,22,24)/t18-/m1/s1
InChIKeyMPJYYLAXPLBCTG-GOSISDBHSA-N
XLogP2.59
TPSA74.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[[(2S)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]amino]-5,6-dimethylpyridazine-4-carbonitrile with MolForge

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Related Compounds

3-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-5,6-dimethylpyridazine-4-carbonitrile
CID 47021427
5,6-dimethyl-3-[[(2S)-2-morpholin-4-yl-2-phenylethyl]amino]pyridazine-4-carbonitrile
CID 36724536
5,6-dimethyl-3-[[(2R)-3-methyl-2-morpholin-4-ylbutyl]amino]pyridazine-4-carbonitrile
CID 31537587
4,6-dimethyl-2-[[2-(3-methylphenyl)-2-morpholin-4-ylethyl]amino]pyridine-3-carbonitrile
CID 78871346
N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-propan-2-yloxypyrazin-2-amine
CID 133442873
5,6-diethyl-3-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]pyridazine-4-carbonitrile
CID 133359909
N-[(2R)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]methanesulfonamide
CID 94211212
5,6-dimethyl-3-[(2-morpholin-4-ylphenyl)methylamino]pyridazine-4-carbonitrile
CID 56821491
(3R)-N-[(2S)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylpentan-3-amine
CID 97321962
5,6-dimethyl-3-(2-pyrrolidin-1-ylpropylamino)pyridazine-4-carbonitrile
CID 112726802
6-fluoro-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]quinazolin-4-amine
CID 78901218
1-(cyclopropylmethyl)-3-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylguanidine;hydroiodide
CID 111869687

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]amino]-5,6-dimethylpyridazine-4-carbonitrile?
The IUPAC name of 3-[[(2S)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]amino]-5,6-dimethylpyridazine-4-carbonitrile (CID 52508439) is 3-[[(2S)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]amino]-5,6-dimethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-[[(2S)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]amino]-5,6-dimethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-[[(2S)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]amino]-5,6-dimethylpyridazine-4-carbonitrile is Cc1nnc(NC[C@H](c2cccc(F)c2)N2CCOCC2)c(C#N)c1C.
What is the InChIKey of 3-[[(2S)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]amino]-5,6-dimethylpyridazine-4-carbonitrile?
The InChIKey is MPJYYLAXPLBCTG-GOSISDBHSA-N. The full InChI is InChI=1S/C19H22FN5O/c1-13-14(2)23-24-19(17(13)11-21)22-12-18(25-6-8-26-9-7-25)15-4-3-5-16(20)10-15/h3-5,10,18H,6-9,12H2,1-2H3,(H,22,24)/t18-/m1/s1.
What are the key properties of 3-[[(2S)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]amino]-5,6-dimethylpyridazine-4-carbonitrile?
3-[[(2S)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]amino]-5,6-dimethylpyridazine-4-carbonitrile has a molecular weight of 355.42 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]amino]-5,6-dimethylpyridazine-4-carbonitrile is sourced from PubChem (CID 52508439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).