1-(2,6-dimethylmorpholin-4-yl)-3-(7-methylindazol-1-yl)propan-1-one

C17H23N3O2 — CID 75767441

IUPAC1-(2,6-dimethylmorpholin-4-yl)-3-(7-methylindazol-1-yl)propan-1-one
SMILESCc1cccc2cnn(CCC(=O)N3CC(C)OC(C)C3)c12
InChIInChI=1S/C17H23N3O2/c1-12-5-4-6-15-9-18-20(17(12)15)8-7-16(21)19-10-13(2)22-14(3)11-19/h4-6,9,13-14H,7-8,10-11H2,1-3H3
InChIKeyHWHCKIFCMCKBKQ-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.37
Rot. Bonds3

About 1-(2,6-dimethylmorpholin-4-yl)-3-(7-methylindazol-1-yl)propan-1-one

1-(2,6-dimethylmorpholin-4-yl)-3-(7-methylindazol-1-yl)propan-1-one (PubChem CID 75767441) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-(2,6-dimethylmorpholin-4-yl)-3-(7-methylindazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(2,6-dimethylmorpholin-4-yl)-3-(7-methylindazol-1-yl)propan-1-one
PubChem CID75767441
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name1-(2,6-dimethylmorpholin-4-yl)-3-(7-methylindazol-1-yl)propan-1-one
SMILESCc1cccc2cnn(CCC(=O)N3CC(C)OC(C)C3)c12
InChIInChI=1S/C17H23N3O2/c1-12-5-4-6-15-9-18-20(17(12)15)8-7-16(21)19-10-13(2)22-14(3)11-19/h4-6,9,13-14H,7-8,10-11H2,1-3H3
InChIKeyHWHCKIFCMCKBKQ-UHFFFAOYSA-N
XLogP2.37
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-dimethylmorpholin-4-yl)-3-(6-methylindazol-1-yl)propan-1-one
CID 75767368
3-(4-chloroindazol-1-yl)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
CID 56686289
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
CID 4768989
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-1-one
CID 51389961
3-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-1,2,3-benzotriazin-4-one
CID 35815227
1-(2,6-dimethylmorpholin-4-yl)-4-(2-methylphenoxy)butan-1-one
CID 127115825
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-1-one
CID 30136997
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
CID 42931025
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 94178820
1-[(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-3-indazol-1-ylpropan-1-one
CID 110107960
3-amino-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
CID 16784840
3-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one
CID 94448175

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-3-(7-methylindazol-1-yl)propan-1-one?
The IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-3-(7-methylindazol-1-yl)propan-1-one (CID 75767441) is 1-(2,6-dimethylmorpholin-4-yl)-3-(7-methylindazol-1-yl)propan-1-one.
What is the SMILES notation for 1-(2,6-dimethylmorpholin-4-yl)-3-(7-methylindazol-1-yl)propan-1-one?
The canonical SMILES for 1-(2,6-dimethylmorpholin-4-yl)-3-(7-methylindazol-1-yl)propan-1-one is Cc1cccc2cnn(CCC(=O)N3CC(C)OC(C)C3)c12.
What is the InChIKey of 1-(2,6-dimethylmorpholin-4-yl)-3-(7-methylindazol-1-yl)propan-1-one?
The InChIKey is HWHCKIFCMCKBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-12-5-4-6-15-9-18-20(17(12)15)8-7-16(21)19-10-13(2)22-14(3)11-19/h4-6,9,13-14H,7-8,10-11H2,1-3H3.
What are the key properties of 1-(2,6-dimethylmorpholin-4-yl)-3-(7-methylindazol-1-yl)propan-1-one?
1-(2,6-dimethylmorpholin-4-yl)-3-(7-methylindazol-1-yl)propan-1-one has a molecular weight of 301.39 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylmorpholin-4-yl)-3-(7-methylindazol-1-yl)propan-1-one is sourced from PubChem (CID 75767441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).