3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(pyridin-3-ylmethyl)-1H-indol-2-one

C26H26N2O3 — CID 10047419

IUPAC3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(pyridin-3-ylmethyl)-1H-indol-2-one
SMILESCOc1ccc(C2(Cc3cccnc3)C(=O)Nc3ccccc32)cc1OC1CCCC1
InChIInChI=1S/C26H26N2O3/c1-30-23-13-12-19(15-24(23)31-20-8-2-3-9-20)26(16-18-7-6-14-27-17-18)21-10-4-5-11-22(21)28-25(26)29/h4-7,10-15,17,20H,2-3,8-9,16H2,1H3,(H,28,29)
InChIKeyMFGKXUMOPKIESN-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.89
Rot. Bonds6

About 3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(pyridin-3-ylmethyl)-1H-indol-2-one

3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(pyridin-3-ylmethyl)-1H-indol-2-one (PubChem CID 10047419) has the molecular formula C26H26N2O3 and a molecular weight of 414.51 g/mol. Its IUPAC name is 3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(pyridin-3-ylmethyl)-1H-indol-2-one.

Molecular Properties

Compound Name3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(pyridin-3-ylmethyl)-1H-indol-2-one
PubChem CID10047419
Molecular FormulaC26H26N2O3
Molecular Weight414.51 g/mol
Exact Mass414.19
IUPAC Name3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(pyridin-3-ylmethyl)-1H-indol-2-one
SMILESCOc1ccc(C2(Cc3cccnc3)C(=O)Nc3ccccc32)cc1OC1CCCC1
InChIInChI=1S/C26H26N2O3/c1-30-23-13-12-19(15-24(23)31-20-8-2-3-9-20)26(16-18-7-6-14-27-17-18)21-10-4-5-11-22(21)28-25(26)29/h4-7,10-15,17,20H,2-3,8-9,16H2,1H3,(H,28,29)
InChIKeyMFGKXUMOPKIESN-UHFFFAOYSA-N
XLogP4.89
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-4-[3-(cyclopentoxy)-4-methoxy-phenyl]-1-(4-pyridyl)pyrrolidin-2-one
CID 15958397
2-(3,4-dimethoxyphenyl)-N-[4-(1H-pyrrol-1-yl)benzyl]acetamide
CID 5300696
3-(1-methylindol-3-yl)-4-[3-(2-aminoethoxy)phenyl]-1Hpyrrole-2,5-dione
CID 9928879
3-cyclopentyloxy-4-methoxy-N-pyridin-3-yl-benzamide
CID 10041212
3-cyclopentyloxy-4-methoxy-N-pyridin-4-yl-benzamide
CID 10041213
3-(indole-3-yl)-4-(3,4-dimethoxyphenyl)-1H-pyrrole-2,5-dione
CID 11494006
Propan-2-yl 3-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxo-3-(pyridin-4-ylmethyl)pyrrolidine-1-carboxylate
CID 44352901
3-(3-Cyclopentyloxy-4-methoxyphenyl)-1-(naphthalen-2-ylmethyl)-3-(pyridin-4-ylmethyl)pyrrolidin-2-one
CID 44352903
Methyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxo-3-(pyridin-4-ylmethyl)pyrrolidine-1-carboxylate
CID 44352916
3-(3-Cyclopentyloxy-4-methoxyphenyl)-3-(pyridin-4-ylmethyl)pyrrolidin-2-one
CID 44352934
Tert-butyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxo-3-(pyridin-4-ylmethyl)pyrrolidine-1-carboxylate
CID 44352955
Tert-butyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(1-oxidopyridin-1-ium-4-yl)methyl]-2-oxopyrrolidine-1-carboxylate
CID 44353084

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(pyridin-3-ylmethyl)-1H-indol-2-one?
The IUPAC name of 3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(pyridin-3-ylmethyl)-1H-indol-2-one (CID 10047419) is 3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(pyridin-3-ylmethyl)-1H-indol-2-one.
What is the SMILES notation for 3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(pyridin-3-ylmethyl)-1H-indol-2-one?
The canonical SMILES for 3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(pyridin-3-ylmethyl)-1H-indol-2-one is COc1ccc(C2(Cc3cccnc3)C(=O)Nc3ccccc32)cc1OC1CCCC1.
What is the InChIKey of 3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(pyridin-3-ylmethyl)-1H-indol-2-one?
The InChIKey is MFGKXUMOPKIESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O3/c1-30-23-13-12-19(15-24(23)31-20-8-2-3-9-20)26(16-18-7-6-14-27-17-18)21-10-4-5-11-22(21)28-25(26)29/h4-7,10-15,17,20H,2-3,8-9,16H2,1H3,(H,28,29).
What are the key properties of 3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(pyridin-3-ylmethyl)-1H-indol-2-one?
3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(pyridin-3-ylmethyl)-1H-indol-2-one has a molecular weight of 414.51 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(pyridin-3-ylmethyl)-1H-indol-2-one is sourced from PubChem (CID 10047419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).