(3-phenyl-1H-indol-6-yl)-[3-[[1-(1,3-thiazole-2-carbonyl)pyrrolidin-3-yl]amino]azetidin-1-yl]methanone

C26H25N5O2S — CID 77260147

IUPAC(3-phenyl-1H-indol-6-yl)-[3-[[1-(1,3-thiazole-2-carbonyl)pyrrolidin-3-yl]amino]azetidin-1-yl]methanone
SMILESO=C(c1ccc2c(-c3ccccc3)c[nH]c2c1)N1CC(NC2CCN(C(=O)c3nccs3)C2)C1
InChIInChI=1S/C26H25N5O2S/c32-25(18-6-7-21-22(13-28-23(21)12-18)17-4-2-1-3-5-17)31-15-20(16-31)29-19-8-10-30(14-19)26(33)24-27-9-11-34-24/h1-7,9,11-13,19-20,28-29H,8,10,14-16H2
InChIKeyQYTRHVKQUOQRCF-UHFFFAOYSA-N
MW471.59 g/mol
LogP3.62
Rot. Bonds5

About (3-phenyl-1H-indol-6-yl)-[3-[[1-(1,3-thiazole-2-carbonyl)pyrrolidin-3-yl]amino]azetidin-1-yl]methanone

(3-phenyl-1H-indol-6-yl)-[3-[[1-(1,3-thiazole-2-carbonyl)pyrrolidin-3-yl]amino]azetidin-1-yl]methanone (PubChem CID 77260147) has the molecular formula C26H25N5O2S and a molecular weight of 471.59 g/mol. Its IUPAC name is (3-phenyl-1H-indol-6-yl)-[3-[[1-(1,3-thiazole-2-carbonyl)pyrrolidin-3-yl]amino]azetidin-1-yl]methanone.

Molecular Properties

Compound Name(3-phenyl-1H-indol-6-yl)-[3-[[1-(1,3-thiazole-2-carbonyl)pyrrolidin-3-yl]amino]azetidin-1-yl]methanone
PubChem CID77260147
Molecular FormulaC26H25N5O2S
Molecular Weight471.59 g/mol
Exact Mass471.17
IUPAC Name(3-phenyl-1H-indol-6-yl)-[3-[[1-(1,3-thiazole-2-carbonyl)pyrrolidin-3-yl]amino]azetidin-1-yl]methanone
SMILESO=C(c1ccc2c(-c3ccccc3)c[nH]c2c1)N1CC(NC2CCN(C(=O)c3nccs3)C2)C1
InChIInChI=1S/C26H25N5O2S/c32-25(18-6-7-21-22(13-28-23(21)12-18)17-4-2-1-3-5-17)31-15-20(16-31)29-19-8-10-30(14-19)26(33)24-27-9-11-34-24/h1-7,9,11-13,19-20,28-29H,8,10,14-16H2
InChIKeyQYTRHVKQUOQRCF-UHFFFAOYSA-N
XLogP3.62
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.59
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-phenyl-1H-indol-6-yl)-[3-[[1-(1,3-thiazole-2-carbonyl)pyrrolidin-3-yl]amino]azetidin-1-yl]methanone?
The IUPAC name of (3-phenyl-1H-indol-6-yl)-[3-[[1-(1,3-thiazole-2-carbonyl)pyrrolidin-3-yl]amino]azetidin-1-yl]methanone (CID 77260147) is (3-phenyl-1H-indol-6-yl)-[3-[[1-(1,3-thiazole-2-carbonyl)pyrrolidin-3-yl]amino]azetidin-1-yl]methanone.
What is the SMILES notation for (3-phenyl-1H-indol-6-yl)-[3-[[1-(1,3-thiazole-2-carbonyl)pyrrolidin-3-yl]amino]azetidin-1-yl]methanone?
The canonical SMILES for (3-phenyl-1H-indol-6-yl)-[3-[[1-(1,3-thiazole-2-carbonyl)pyrrolidin-3-yl]amino]azetidin-1-yl]methanone is O=C(c1ccc2c(-c3ccccc3)c[nH]c2c1)N1CC(NC2CCN(C(=O)c3nccs3)C2)C1.
What is the InChIKey of (3-phenyl-1H-indol-6-yl)-[3-[[1-(1,3-thiazole-2-carbonyl)pyrrolidin-3-yl]amino]azetidin-1-yl]methanone?
The InChIKey is QYTRHVKQUOQRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2S/c32-25(18-6-7-21-22(13-28-23(21)12-18)17-4-2-1-3-5-17)31-15-20(16-31)29-19-8-10-30(14-19)26(33)24-27-9-11-34-24/h1-7,9,11-13,19-20,28-29H,8,10,14-16H2.
What are the key properties of (3-phenyl-1H-indol-6-yl)-[3-[[1-(1,3-thiazole-2-carbonyl)pyrrolidin-3-yl]amino]azetidin-1-yl]methanone?
(3-phenyl-1H-indol-6-yl)-[3-[[1-(1,3-thiazole-2-carbonyl)pyrrolidin-3-yl]amino]azetidin-1-yl]methanone has a molecular weight of 471.59 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenyl-1H-indol-6-yl)-[3-[[1-(1,3-thiazole-2-carbonyl)pyrrolidin-3-yl]amino]azetidin-1-yl]methanone is sourced from PubChem (CID 77260147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).