3-(1H-indol-3-yl)-1-[(2R)-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]propan-1-one

C27H27N3O3 — CID 129457912

IUPAC3-(1H-indol-3-yl)-1-[(2R)-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]propan-1-one
SMILESCOc1ccc(-c2cccc([C@H]3CN(C(=O)CCc4c[nH]c5ccccc45)CCO3)n2)cc1
InChIInChI=1S/C27H27N3O3/c1-32-21-12-9-19(10-13-21)23-7-4-8-25(29-23)26-18-30(15-16-33-26)27(31)14-11-20-17-28-24-6-3-2-5-22(20)24/h2-10,12-13,17,26,28H,11,14-16,18H2,1H3/t26-/m1/s1
InChIKeyRICJMDSDMSOOQK-AREMUKBSSA-N
MW441.53 g/mol
LogP4.77
Rot. Bonds6

About 3-(1H-indol-3-yl)-1-[(2R)-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]propan-1-one

3-(1H-indol-3-yl)-1-[(2R)-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]propan-1-one (PubChem CID 129457912) has the molecular formula C27H27N3O3 and a molecular weight of 441.53 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-1-[(2R)-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-1-[(2R)-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]propan-1-one
PubChem CID129457912
Molecular FormulaC27H27N3O3
Molecular Weight441.53 g/mol
Exact Mass441.21
IUPAC Name3-(1H-indol-3-yl)-1-[(2R)-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]propan-1-one
SMILESCOc1ccc(-c2cccc([C@H]3CN(C(=O)CCc4c[nH]c5ccccc45)CCO3)n2)cc1
InChIInChI=1S/C27H27N3O3/c1-32-21-12-9-19(10-13-21)23-7-4-8-25(29-23)26-18-30(15-16-33-26)27(31)14-11-20-17-28-24-6-3-2-5-22(20)24/h2-10,12-13,17,26,28H,11,14-16,18H2,1H3/t26-/m1/s1
InChIKeyRICJMDSDMSOOQK-AREMUKBSSA-N
XLogP4.77
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(1H-indol-3-yl)-1-[(2R)-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]propan-1-one with MolForge

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Related Compounds

1-[2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-3-(1H-indol-3-yl)propan-1-one
CID 127250571
1-[(2S)-2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-3-(1H-indol-3-yl)propan-1-one
CID 124993546
2-(1H-indol-3-yl)-1-[(2S)-2-[6-(3-methoxyphenyl)pyrazin-2-yl]morpholin-4-yl]ethanone
CID 124956255
3-(1H-indol-3-yl)-1-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]propan-1-one
CID 124952727
3-(1H-indol-3-yl)-1-[(2R)-2-[6-(pyrimidin-2-ylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one
CID 124973725
3-(1H-indol-3-yl)-1-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]propan-1-one
CID 110102712
1-[(2R)-2-[6-(2-fluorophenyl)pyrazin-2-yl]morpholin-4-yl]-3-(1H-indol-3-yl)propan-1-one
CID 129457839
3-(1H-indol-3-yl)-1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one
CID 155899693
1-[2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one
CID 127250561
1-[(2S)-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 125011310
3-(1H-indol-3-yl)-1-[(2S)-2-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one
CID 124993957
4-(1H-indol-3-yl)-1-[(2S)-2-phenylmorpholin-4-yl]butan-1-one
CID 35257736

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-1-[(2R)-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]propan-1-one?
The IUPAC name of 3-(1H-indol-3-yl)-1-[(2R)-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]propan-1-one (CID 129457912) is 3-(1H-indol-3-yl)-1-[(2R)-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]propan-1-one.
What is the SMILES notation for 3-(1H-indol-3-yl)-1-[(2R)-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]propan-1-one?
The canonical SMILES for 3-(1H-indol-3-yl)-1-[(2R)-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]propan-1-one is COc1ccc(-c2cccc([C@H]3CN(C(=O)CCc4c[nH]c5ccccc45)CCO3)n2)cc1.
What is the InChIKey of 3-(1H-indol-3-yl)-1-[(2R)-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]propan-1-one?
The InChIKey is RICJMDSDMSOOQK-AREMUKBSSA-N. The full InChI is InChI=1S/C27H27N3O3/c1-32-21-12-9-19(10-13-21)23-7-4-8-25(29-23)26-18-30(15-16-33-26)27(31)14-11-20-17-28-24-6-3-2-5-22(20)24/h2-10,12-13,17,26,28H,11,14-16,18H2,1H3/t26-/m1/s1.
What are the key properties of 3-(1H-indol-3-yl)-1-[(2R)-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]propan-1-one?
3-(1H-indol-3-yl)-1-[(2R)-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]propan-1-one has a molecular weight of 441.53 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-1-[(2R)-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]propan-1-one is sourced from PubChem (CID 129457912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).