2-[(1R)-1-[(2-amino-5-methyl-3-pyridinyl)oxy]ethyl]-N-[[5-cyano-1-(trideuteriomethyl)pyrazol-3-yl]methyl]-4-fluoro-N-methylbenzamide

C22H23FN6O2 — CID 163416145

IUPAC2-[(1R)-1-[(2-amino-5-methyl-3-pyridinyl)oxy]ethyl]-N-[[5-cyano-1-(trideuteriomethyl)pyrazol-3-yl]methyl]-4-fluoro-N-methylbenzamide
SMILES[2H]C([2H])([2H])n1nc(CN(C)C(=O)c2ccc(F)cc2[C@@H](C)Oc2cc(C)cnc2N)cc1C#N
InChIInChI=1S/C22H23FN6O2/c1-13-7-20(21(25)26-11-13)31-14(2)19-8-15(23)5-6-18(19)22(30)28(3)12-16-9-17(10-24)29(4)27-16/h5-9,11,14H,12H2,1-4H3,(H2,25,26)/t14-/m1/s1/i4D3
InChIKeySIVIOCPXJYQPEB-FRBPAEEZSA-N
MW425.48 g/mol
LogP3.13
Rot. Bonds7

About 2-[(1R)-1-[(2-amino-5-methyl-3-pyridinyl)oxy]ethyl]-N-[[5-cyano-1-(trideuteriomethyl)pyrazol-3-yl]methyl]-4-fluoro-N-methylbenzamide

2-[(1R)-1-[(2-amino-5-methyl-3-pyridinyl)oxy]ethyl]-N-[[5-cyano-1-(trideuteriomethyl)pyrazol-3-yl]methyl]-4-fluoro-N-methylbenzamide (PubChem CID 163416145) has the molecular formula C22H23FN6O2 and a molecular weight of 425.48 g/mol. Its IUPAC name is 2-[(1R)-1-[(2-amino-5-methyl-3-pyridinyl)oxy]ethyl]-N-[[5-cyano-1-(trideuteriomethyl)pyrazol-3-yl]methyl]-4-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name2-[(1R)-1-[(2-amino-5-methyl-3-pyridinyl)oxy]ethyl]-N-[[5-cyano-1-(trideuteriomethyl)pyrazol-3-yl]methyl]-4-fluoro-N-methylbenzamide
PubChem CID163416145
Molecular FormulaC22H23FN6O2
Molecular Weight425.48 g/mol
Exact Mass425.21
IUPAC Name2-[(1R)-1-[(2-amino-5-methyl-3-pyridinyl)oxy]ethyl]-N-[[5-cyano-1-(trideuteriomethyl)pyrazol-3-yl]methyl]-4-fluoro-N-methylbenzamide
SMILES[2H]C([2H])([2H])n1nc(CN(C)C(=O)c2ccc(F)cc2[C@@H](C)Oc2cc(C)cnc2N)cc1C#N
InChIInChI=1S/C22H23FN6O2/c1-13-7-20(21(25)26-11-13)31-14(2)19-8-15(23)5-6-18(19)22(30)28(3)12-16-9-17(10-24)29(4)27-16/h5-9,11,14H,12H2,1-4H3,(H2,25,26)/t14-/m1/s1/i4D3
InChIKeySIVIOCPXJYQPEB-FRBPAEEZSA-N
XLogP3.13
TPSA110.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.48
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[5-cyano-1-(trideuteriomethyl)pyrazol-3-yl]methyl]-2-[(1R)-1-[[2-(dimethylamino)-5-methyl-3-pyridinyl]oxy]ethyl]-4-fluoro-N-methylbenzamide
CID 163947751
2-[(1R)-1-[[5-bromo-2-(diacetylamino)-3-pyridinyl]oxy]ethyl]-N-[(5-cyano-1-methylpyrazol-3-yl)methyl]-4-fluoro-N-methylbenzamide
CID 134950184
2-[(1R)-1-[(2-amino-5-iodo-3-pyridinyl)oxy]ethyl]-4-fluoro-N-methyl-N-(2H-triazol-4-ylmethyl)benzamide
CID 149091650
2-[1-[(2-amino-5-bromo-3-pyridinyl)oxy]ethyl]-N-[(3-ethyl-1,2-thiazol-5-yl)methyl]-4-fluoro-N-methylbenzamide
CID 123693630
(1E)-N-[2-[[2-[(1R)-1-[(2-amino-5-bromo-3-pyridinyl)oxy]ethyl]-4-fluorobenzoyl]-methylamino]ethoxy]prop-2-enimidoyl cyanide
CID 129268655
2-[1-[[2-amino-5-[5-cyano-1-methyl-3-(methylaminooxy)pyrazol-4-yl]-3-pyridinyl]oxy]ethyl]-4-fluorobenzoic acid
CID 123825714
2-[1-[(2-amino-5-ethyl-3-pyridinyl)oxy]ethyl]-N-[(1-cyclobutyl-4,5-dihydrotriazol-4-yl)methyl]-4-fluoro-N-methylbenzamide
CID 123605254
2-[1-[[2-amino-5-[6-methyl-2-(methylaminomethyl)imidazo[1,2-a]pyrimidin-3-yl]-3-pyridinyl]oxy]ethyl]-4-fluorobenzoic acid
CID 123947019
3-[[2-[2-[1-[(2-amino-5-bromo-3-pyridinyl)oxy]ethyl]-4-fluorophenyl]pyrazol-3-yl]-hydroxymethyl]-1-methylpyrazole-5-carbonitrile
CID 164719260
4-[6-amino-5-[1-(2-ethyl-5-fluorophenyl)ethoxy]-3-pyridinyl]-2-methyl-5-(methylideneamino)pyrazole-3-carbonitrile
CID 144822780
methyl 2-[1-[3-amino-6-[3-cyano-1-methyl-5-(methylaminomethyl)pyrazol-4-yl]pyrazin-2-yl]oxyethyl]-4-fluorobenzoate
CID 123453476
5-[1-[3-[2-[(1R)-1-[(2-amino-5-bromo-3-pyridinyl)oxy]ethyl]-4-fluorophenyl]-1-methylpyrazol-4-yl]ethenyl]-1-methylpyrazole-3-carbonitrile
CID 178128933

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-[(2-amino-5-methyl-3-pyridinyl)oxy]ethyl]-N-[[5-cyano-1-(trideuteriomethyl)pyrazol-3-yl]methyl]-4-fluoro-N-methylbenzamide?
The IUPAC name of 2-[(1R)-1-[(2-amino-5-methyl-3-pyridinyl)oxy]ethyl]-N-[[5-cyano-1-(trideuteriomethyl)pyrazol-3-yl]methyl]-4-fluoro-N-methylbenzamide (CID 163416145) is 2-[(1R)-1-[(2-amino-5-methyl-3-pyridinyl)oxy]ethyl]-N-[[5-cyano-1-(trideuteriomethyl)pyrazol-3-yl]methyl]-4-fluoro-N-methylbenzamide.
What is the SMILES notation for 2-[(1R)-1-[(2-amino-5-methyl-3-pyridinyl)oxy]ethyl]-N-[[5-cyano-1-(trideuteriomethyl)pyrazol-3-yl]methyl]-4-fluoro-N-methylbenzamide?
The canonical SMILES for 2-[(1R)-1-[(2-amino-5-methyl-3-pyridinyl)oxy]ethyl]-N-[[5-cyano-1-(trideuteriomethyl)pyrazol-3-yl]methyl]-4-fluoro-N-methylbenzamide is [2H]C([2H])([2H])n1nc(CN(C)C(=O)c2ccc(F)cc2[C@@H](C)Oc2cc(C)cnc2N)cc1C#N.
What is the InChIKey of 2-[(1R)-1-[(2-amino-5-methyl-3-pyridinyl)oxy]ethyl]-N-[[5-cyano-1-(trideuteriomethyl)pyrazol-3-yl]methyl]-4-fluoro-N-methylbenzamide?
The InChIKey is SIVIOCPXJYQPEB-FRBPAEEZSA-N. The full InChI is InChI=1S/C22H23FN6O2/c1-13-7-20(21(25)26-11-13)31-14(2)19-8-15(23)5-6-18(19)22(30)28(3)12-16-9-17(10-24)29(4)27-16/h5-9,11,14H,12H2,1-4H3,(H2,25,26)/t14-/m1/s1/i4D3.
What are the key properties of 2-[(1R)-1-[(2-amino-5-methyl-3-pyridinyl)oxy]ethyl]-N-[[5-cyano-1-(trideuteriomethyl)pyrazol-3-yl]methyl]-4-fluoro-N-methylbenzamide?
2-[(1R)-1-[(2-amino-5-methyl-3-pyridinyl)oxy]ethyl]-N-[[5-cyano-1-(trideuteriomethyl)pyrazol-3-yl]methyl]-4-fluoro-N-methylbenzamide has a molecular weight of 425.48 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-[(2-amino-5-methyl-3-pyridinyl)oxy]ethyl]-N-[[5-cyano-1-(trideuteriomethyl)pyrazol-3-yl]methyl]-4-fluoro-N-methylbenzamide is sourced from PubChem (CID 163416145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).