1-[4-[bis(trideuteriomethyl)amino]cyclohexyl]-2-[3-(2-methyl-1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]ethanone

C22H26N4O2 — CID 153101172

IUPAC1-[4-[bis(trideuteriomethyl)amino]cyclohexyl]-2-[3-(2-methyl-1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]ethanone
SMILES[2H]C([2H])([2H])N(C1CCC(C(=O)Cc2cc3cc(-c4cnc(C)o4)cnc3cn2)CC1)C([2H])([2H])[2H]
InChIInChI=1S/C22H26N4O2/c1-14-23-13-22(28-14)17-8-16-9-18(24-12-20(16)25-11-17)10-21(27)15-4-6-19(7-5-15)26(2)3/h8-9,11-13,15,19H,4-7,10H2,1-3H3/i2D3,3D3
InChIKeyVRCDRWAAFJAXNE-XERRXZQWSA-N
MW384.51 g/mol
LogP3.83
Rot. Bonds7

About 1-[4-[bis(trideuteriomethyl)amino]cyclohexyl]-2-[3-(2-methyl-1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]ethanone

1-[4-[bis(trideuteriomethyl)amino]cyclohexyl]-2-[3-(2-methyl-1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]ethanone (PubChem CID 153101172) has the molecular formula C22H26N4O2 and a molecular weight of 384.51 g/mol. Its IUPAC name is 1-[4-[bis(trideuteriomethyl)amino]cyclohexyl]-2-[3-(2-methyl-1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]ethanone.

Molecular Properties

Compound Name1-[4-[bis(trideuteriomethyl)amino]cyclohexyl]-2-[3-(2-methyl-1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]ethanone
PubChem CID153101172
Molecular FormulaC22H26N4O2
Molecular Weight384.51 g/mol
Exact Mass384.24
IUPAC Name1-[4-[bis(trideuteriomethyl)amino]cyclohexyl]-2-[3-(2-methyl-1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]ethanone
SMILES[2H]C([2H])([2H])N(C1CCC(C(=O)Cc2cc3cc(-c4cnc(C)o4)cnc3cn2)CC1)C([2H])([2H])[2H]
InChIInChI=1S/C22H26N4O2/c1-14-23-13-22(28-14)17-8-16-9-18(24-12-20(16)25-11-17)10-21(27)15-4-6-19(7-5-15)26(2)3/h8-9,11-13,15,19H,4-7,10H2,1-3H3/i2D3,3D3
InChIKeyVRCDRWAAFJAXNE-XERRXZQWSA-N
XLogP3.83
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(1R,5S)-3-amino-8-azabicyclo[3.2.1]octan-8-yl]-2-[3-(2-methyl-1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]ethanone
CID 158047318
tert-butyl N-methyl-N-[4-[2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]acetyl]cyclohexyl]carbamate
CID 160831567
1-[(1R,5S)-3-(3-fluoropropyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-[3-(2-methyl-1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]ethanone
CID 159600305
1-cyclopropyl-2-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]ethanone
CID 146828434
N-[3-(2-methyl-1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]-4-[methyl(oxetan-3-yl)amino]cyclohexane-1-carboxamide
CID 138605012
1-[4-(3-fluoropropyl)cyclohexyl]-2-[6-(2-methyl-1,3-oxazol-5-yl)cinnolin-3-yl]ethanone
CID 153271778
4-(1,1,1,3,3,3-hexadeuteriopropan-2-ylamino)-N-[3-(2-methyl-1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]cyclohexane-1-carboxamide
CID 138587578
2-[3-(2-methyl-1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]-1-[3-(1-methylpiperidin-4-yl)oxyphenyl]ethanone
CID 157130242
1-[4-(hydroxymethyl)cyclohexyl]-2-[2-(2-methyl-1,3-oxazol-5-yl)-1,6-naphthyridin-7-yl]ethanone
CID 159890258
1-[1-(2,2-difluoropropyl)piperidin-4-yl]-2-[3-(1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]ethanone
CID 158656022
2-[6-(2-methyl-1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]-1-(4-morpholin-4-ylcyclohexyl)ethanone
CID 147235272
2-[3-(2-methyl-1,3-thiazol-5-yl)-1,7-naphthyridin-6-yl]-1-[1-(oxetan-3-yl)piperidin-4-yl]ethanone
CID 158378498

Frequently Asked Questions

What is the IUPAC name of 1-[4-[bis(trideuteriomethyl)amino]cyclohexyl]-2-[3-(2-methyl-1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]ethanone?
The IUPAC name of 1-[4-[bis(trideuteriomethyl)amino]cyclohexyl]-2-[3-(2-methyl-1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]ethanone (CID 153101172) is 1-[4-[bis(trideuteriomethyl)amino]cyclohexyl]-2-[3-(2-methyl-1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]ethanone.
What is the SMILES notation for 1-[4-[bis(trideuteriomethyl)amino]cyclohexyl]-2-[3-(2-methyl-1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]ethanone?
The canonical SMILES for 1-[4-[bis(trideuteriomethyl)amino]cyclohexyl]-2-[3-(2-methyl-1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]ethanone is [2H]C([2H])([2H])N(C1CCC(C(=O)Cc2cc3cc(-c4cnc(C)o4)cnc3cn2)CC1)C([2H])([2H])[2H].
What is the InChIKey of 1-[4-[bis(trideuteriomethyl)amino]cyclohexyl]-2-[3-(2-methyl-1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]ethanone?
The InChIKey is VRCDRWAAFJAXNE-XERRXZQWSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-14-23-13-22(28-14)17-8-16-9-18(24-12-20(16)25-11-17)10-21(27)15-4-6-19(7-5-15)26(2)3/h8-9,11-13,15,19H,4-7,10H2,1-3H3/i2D3,3D3.
What are the key properties of 1-[4-[bis(trideuteriomethyl)amino]cyclohexyl]-2-[3-(2-methyl-1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]ethanone?
1-[4-[bis(trideuteriomethyl)amino]cyclohexyl]-2-[3-(2-methyl-1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]ethanone has a molecular weight of 384.51 g/mol, XLogP of 3.83, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[bis(trideuteriomethyl)amino]cyclohexyl]-2-[3-(2-methyl-1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]ethanone is sourced from PubChem (CID 153101172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).