1-[2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone

C26H24ClN3O — CID 155985300

IUPAC1-[2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone
SMILESO=C(Cc1c[nH]c2ccccc12)N1CCCC1c1cccc(Cc2ccccc2Cl)n1
InChIInChI=1S/C26H24ClN3O/c27-22-10-3-1-7-18(22)15-20-8-5-12-24(29-20)25-13-6-14-30(25)26(31)16-19-17-28-23-11-4-2-9-21(19)23/h1-5,7-12,17,25,28H,6,13-16H2
InChIKeyTWXUYUHWXBJGDE-UHFFFAOYSA-N
MW429.95 g/mol
LogP5.71
Rot. Bonds5

About 1-[2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone

1-[2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone (PubChem CID 155985300) has the molecular formula C26H24ClN3O and a molecular weight of 429.95 g/mol. Its IUPAC name is 1-[2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name1-[2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone
PubChem CID155985300
Molecular FormulaC26H24ClN3O
Molecular Weight429.95 g/mol
Exact Mass429.16
IUPAC Name1-[2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone
SMILESO=C(Cc1c[nH]c2ccccc12)N1CCCC1c1cccc(Cc2ccccc2Cl)n1
InChIInChI=1S/C26H24ClN3O/c27-22-10-3-1-7-18(22)15-20-8-5-12-24(29-20)25-13-6-14-30(25)26(31)16-19-17-28-23-11-4-2-9-21(19)23/h1-5,7-12,17,25,28H,6,13-16H2
InChIKeyTWXUYUHWXBJGDE-UHFFFAOYSA-N
XLogP5.71
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.95
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone?
The IUPAC name of 1-[2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone (CID 155985300) is 1-[2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone.
What is the SMILES notation for 1-[2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone?
The canonical SMILES for 1-[2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone is O=C(Cc1c[nH]c2ccccc12)N1CCCC1c1cccc(Cc2ccccc2Cl)n1.
What is the InChIKey of 1-[2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone?
The InChIKey is TWXUYUHWXBJGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN3O/c27-22-10-3-1-7-18(22)15-20-8-5-12-24(29-20)25-13-6-14-30(25)26(31)16-19-17-28-23-11-4-2-9-21(19)23/h1-5,7-12,17,25,28H,6,13-16H2.
What are the key properties of 1-[2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone?
1-[2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone has a molecular weight of 429.95 g/mol, XLogP of 5.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone is sourced from PubChem (CID 155985300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).