4-(1H-indol-3-yl)-1-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]butan-1-one

C22H23N5O — CID 38717084

IUPAC4-(1H-indol-3-yl)-1-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]butan-1-one
SMILESO=C(CCCc1c[nH]c2ccccc12)N1CCC[C@@H]1c1nnc2ccccn12
InChIInChI=1S/C22H23N5O/c28-21(12-5-7-16-15-23-18-9-2-1-8-17(16)18)26-14-6-10-19(26)22-25-24-20-11-3-4-13-27(20)22/h1-4,8-9,11,13,15,19,23H,5-7,10,12,14H2/t19-/m1/s1
InChIKeyYFTJNFQNDWLJIN-LJQANCHMSA-N
MW373.46 g/mol
LogP3.90
Rot. Bonds5

About 4-(1H-indol-3-yl)-1-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]butan-1-one

4-(1H-indol-3-yl)-1-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]butan-1-one (PubChem CID 38717084) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-1-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-1-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]butan-1-one
PubChem CID38717084
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name4-(1H-indol-3-yl)-1-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]butan-1-one
SMILESO=C(CCCc1c[nH]c2ccccc12)N1CCC[C@@H]1c1nnc2ccccn12
InChIInChI=1S/C22H23N5O/c28-21(12-5-7-16-15-23-18-9-2-1-8-17(16)18)26-14-6-10-19(26)22-25-24-20-11-3-4-13-27(20)22/h1-4,8-9,11,13,15,19,23H,5-7,10,12,14H2/t19-/m1/s1
InChIKeyYFTJNFQNDWLJIN-LJQANCHMSA-N
XLogP3.90
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)-1-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]butan-1-one?
The IUPAC name of 4-(1H-indol-3-yl)-1-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]butan-1-one (CID 38717084) is 4-(1H-indol-3-yl)-1-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]butan-1-one.
What is the SMILES notation for 4-(1H-indol-3-yl)-1-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]butan-1-one?
The canonical SMILES for 4-(1H-indol-3-yl)-1-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]butan-1-one is O=C(CCCc1c[nH]c2ccccc12)N1CCC[C@@H]1c1nnc2ccccn12.
What is the InChIKey of 4-(1H-indol-3-yl)-1-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]butan-1-one?
The InChIKey is YFTJNFQNDWLJIN-LJQANCHMSA-N. The full InChI is InChI=1S/C22H23N5O/c28-21(12-5-7-16-15-23-18-9-2-1-8-17(16)18)26-14-6-10-19(26)22-25-24-20-11-3-4-13-27(20)22/h1-4,8-9,11,13,15,19,23H,5-7,10,12,14H2/t19-/m1/s1.
What are the key properties of 4-(1H-indol-3-yl)-1-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]butan-1-one?
4-(1H-indol-3-yl)-1-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]butan-1-one has a molecular weight of 373.46 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)-1-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]butan-1-one is sourced from PubChem (CID 38717084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).