1-[(3S)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-indol-1-ylethanone

C19H21N5O — CID 124760367

IUPAC1-[(3S)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-indol-1-ylethanone
SMILESO=C(Cn1ccc2ccccc21)N1CC[C@H](n2cc(C3CC3)nn2)C1
InChIInChI=1S/C19H21N5O/c25-19(13-22-9-7-15-3-1-2-4-18(15)22)23-10-8-16(11-23)24-12-17(20-21-24)14-5-6-14/h1-4,7,9,12,14,16H,5-6,8,10-11,13H2/t16-/m0/s1
InChIKeyLRQBCRQZQYCNHY-INIZCTEOSA-N
MW335.41 g/mol
LogP2.58
Rot. Bonds4

About 1-[(3S)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-indol-1-ylethanone

1-[(3S)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-indol-1-ylethanone (PubChem CID 124760367) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-[(3S)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-indol-1-ylethanone.

Molecular Properties

Compound Name1-[(3S)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-indol-1-ylethanone
PubChem CID124760367
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name1-[(3S)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-indol-1-ylethanone
SMILESO=C(Cn1ccc2ccccc21)N1CC[C@H](n2cc(C3CC3)nn2)C1
InChIInChI=1S/C19H21N5O/c25-19(13-22-9-7-15-3-1-2-4-18(15)22)23-10-8-16(11-23)24-12-17(20-21-24)14-5-6-14/h1-4,7,9,12,14,16H,5-6,8,10-11,13H2/t16-/m0/s1
InChIKeyLRQBCRQZQYCNHY-INIZCTEOSA-N
XLogP2.58
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 121190555
1-[(3R)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-naphthalen-1-ylethanone
CID 124891823
2-[2-[(3R)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 124760925
2-(benzimidazol-1-yl)-1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]ethanone
CID 121190056
1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-4-phenylbutane-1,4-dione
CID 121190540
3-(2-bromophenyl)-1-[(3R)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]propan-1-one
CID 124760129
[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-isoquinolin-1-ylmethanone
CID 121190641
2-cyclopentyl-1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]ethanone
CID 121021120
3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxamide
CID 146082322
2-indol-1-yl-1-[(3S)-3-methoxypyrrolidin-1-yl]ethanone
CID 124848062
2-indol-1-yl-1-(3-methylpiperidin-1-yl)ethanone
CID 110702436
1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 121190589

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-indol-1-ylethanone?
The IUPAC name of 1-[(3S)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-indol-1-ylethanone (CID 124760367) is 1-[(3S)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-indol-1-ylethanone.
What is the SMILES notation for 1-[(3S)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-indol-1-ylethanone?
The canonical SMILES for 1-[(3S)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-indol-1-ylethanone is O=C(Cn1ccc2ccccc21)N1CC[C@H](n2cc(C3CC3)nn2)C1.
What is the InChIKey of 1-[(3S)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-indol-1-ylethanone?
The InChIKey is LRQBCRQZQYCNHY-INIZCTEOSA-N. The full InChI is InChI=1S/C19H21N5O/c25-19(13-22-9-7-15-3-1-2-4-18(15)22)23-10-8-16(11-23)24-12-17(20-21-24)14-5-6-14/h1-4,7,9,12,14,16H,5-6,8,10-11,13H2/t16-/m0/s1.
What are the key properties of 1-[(3S)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-indol-1-ylethanone?
1-[(3S)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-indol-1-ylethanone has a molecular weight of 335.41 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-indol-1-ylethanone is sourced from PubChem (CID 124760367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).