[4-[(7-chloroindol-1-yl)methyl]phenyl]-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone

C24H26ClN3O — CID 24825718

IUPAC[4-[(7-chloroindol-1-yl)methyl]phenyl]-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(Cn2ccc3cccc(Cl)c32)cc1)N1CC[C@H](N2CCCC2)C1
InChIInChI=1S/C24H26ClN3O/c25-22-5-3-4-19-10-14-27(23(19)22)16-18-6-8-20(9-7-18)24(29)28-15-11-21(17-28)26-12-1-2-13-26/h3-10,14,21H,1-2,11-13,15-17H2/t21-/m0/s1
InChIKeyQRZWUPXCLYWBIP-NRFANRHFSA-N
MW407.95 g/mol
LogP4.65
Rot. Bonds4

About [4-[(7-chloroindol-1-yl)methyl]phenyl]-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone

[4-[(7-chloroindol-1-yl)methyl]phenyl]-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone (PubChem CID 24825718) has the molecular formula C24H26ClN3O and a molecular weight of 407.95 g/mol. Its IUPAC name is [4-[(7-chloroindol-1-yl)methyl]phenyl]-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[4-[(7-chloroindol-1-yl)methyl]phenyl]-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
PubChem CID24825718
Molecular FormulaC24H26ClN3O
Molecular Weight407.95 g/mol
Exact Mass407.18
IUPAC Name[4-[(7-chloroindol-1-yl)methyl]phenyl]-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(Cn2ccc3cccc(Cl)c32)cc1)N1CC[C@H](N2CCCC2)C1
InChIInChI=1S/C24H26ClN3O/c25-22-5-3-4-19-10-14-27(23(19)22)16-18-6-8-20(9-7-18)24(29)28-15-11-21(17-28)26-12-1-2-13-26/h3-10,14,21H,1-2,11-13,15-17H2/t21-/m0/s1
InChIKeyQRZWUPXCLYWBIP-NRFANRHFSA-N
XLogP4.65
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.95
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[(7-chloroindol-1-yl)methyl]phenyl]-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone?
The IUPAC name of [4-[(7-chloroindol-1-yl)methyl]phenyl]-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone (CID 24825718) is [4-[(7-chloroindol-1-yl)methyl]phenyl]-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone.
What is the SMILES notation for [4-[(7-chloroindol-1-yl)methyl]phenyl]-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone?
The canonical SMILES for [4-[(7-chloroindol-1-yl)methyl]phenyl]-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone is O=C(c1ccc(Cn2ccc3cccc(Cl)c32)cc1)N1CC[C@H](N2CCCC2)C1.
What is the InChIKey of [4-[(7-chloroindol-1-yl)methyl]phenyl]-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone?
The InChIKey is QRZWUPXCLYWBIP-NRFANRHFSA-N. The full InChI is InChI=1S/C24H26ClN3O/c25-22-5-3-4-19-10-14-27(23(19)22)16-18-6-8-20(9-7-18)24(29)28-15-11-21(17-28)26-12-1-2-13-26/h3-10,14,21H,1-2,11-13,15-17H2/t21-/m0/s1.
What are the key properties of [4-[(7-chloroindol-1-yl)methyl]phenyl]-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone?
[4-[(7-chloroindol-1-yl)methyl]phenyl]-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone has a molecular weight of 407.95 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(7-chloroindol-1-yl)methyl]phenyl]-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 24825718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).