[6-chloro-1-(4-fluorophenyl)indol-5-yl]-[3-[[1-(1,3-thiazole-2-carbonyl)pyrrolidin-3-yl]amino]azetidin-1-yl]methanone

C26H23ClFN5O2S — CID 67518081

IUPAC[6-chloro-1-(4-fluorophenyl)indol-5-yl]-[3-[[1-(1,3-thiazole-2-carbonyl)pyrrolidin-3-yl]amino]azetidin-1-yl]methanone
SMILESO=C(c1nccs1)N1CCC(NC2CN(C(=O)c3cc4ccn(-c5ccc(F)cc5)c4cc3Cl)C2)C1
InChIInChI=1S/C26H23ClFN5O2S/c27-22-12-23-16(5-9-33(23)20-3-1-17(28)2-4-20)11-21(22)25(34)32-14-19(15-32)30-18-6-8-31(13-18)26(35)24-29-7-10-36-24/h1-5,7,9-12,18-19,30H,6,8,13-15H2
InChIKeyRIPCJJBGDGTZBP-UHFFFAOYSA-N
MW524.02 g/mol
LogP4.21
Rot. Bonds5

About [6-chloro-1-(4-fluorophenyl)indol-5-yl]-[3-[[1-(1,3-thiazole-2-carbonyl)pyrrolidin-3-yl]amino]azetidin-1-yl]methanone

[6-chloro-1-(4-fluorophenyl)indol-5-yl]-[3-[[1-(1,3-thiazole-2-carbonyl)pyrrolidin-3-yl]amino]azetidin-1-yl]methanone (PubChem CID 67518081) has the molecular formula C26H23ClFN5O2S and a molecular weight of 524.02 g/mol. Its IUPAC name is [6-chloro-1-(4-fluorophenyl)indol-5-yl]-[3-[[1-(1,3-thiazole-2-carbonyl)pyrrolidin-3-yl]amino]azetidin-1-yl]methanone.

Molecular Properties

Compound Name[6-chloro-1-(4-fluorophenyl)indol-5-yl]-[3-[[1-(1,3-thiazole-2-carbonyl)pyrrolidin-3-yl]amino]azetidin-1-yl]methanone
PubChem CID67518081
Molecular FormulaC26H23ClFN5O2S
Molecular Weight524.02 g/mol
Exact Mass523.12
IUPAC Name[6-chloro-1-(4-fluorophenyl)indol-5-yl]-[3-[[1-(1,3-thiazole-2-carbonyl)pyrrolidin-3-yl]amino]azetidin-1-yl]methanone
SMILESO=C(c1nccs1)N1CCC(NC2CN(C(=O)c3cc4ccn(-c5ccc(F)cc5)c4cc3Cl)C2)C1
InChIInChI=1S/C26H23ClFN5O2S/c27-22-12-23-16(5-9-33(23)20-3-1-17(28)2-4-20)11-21(22)25(34)32-14-19(15-32)30-18-6-8-31(13-18)26(35)24-29-7-10-36-24/h1-5,7,9-12,18-19,30H,6,8,13-15H2
InChIKeyRIPCJJBGDGTZBP-UHFFFAOYSA-N
XLogP4.21
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.02
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(4-fluorophenyl)-2,3-dihydroindol-4-yl]-[3-[[1-(1,3-thiazole-2-carbonyl)pyrrolidin-3-yl]amino]azetidin-1-yl]methanone
CID 77260250
[1-(2,2-difluoroethyl)indol-5-yl]-[3-[[(3R)-1-(1,3-thiazole-2-carbonyl)pyrrolidin-3-yl]amino]azetidin-1-yl]methanone
CID 56963597
[4-chloro-1-(4-fluorophenyl)indol-5-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
CID 90339746
(4-phenylphenyl)-[3-[[(3S)-1-(1,3-thiazole-2-carbonyl)pyrrolidin-3-yl]amino]azetidin-1-yl]methanone
CID 56963413
4-[1-[1-(4-fluorophenyl)indole-5-carbonyl]azetidin-3-yl]-1-(1,3-thiazole-2-carbonyl)piperazin-2-one
CID 56947705
[1-(1,3-thiazole-2-carbonyl)pyrrolidin-3-yl]carbamic acid
CID 67289625
1-[1-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-5-yl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 122653961
(3-phenyl-1H-indol-6-yl)-[3-[[1-(1,3-thiazole-2-carbonyl)pyrrolidin-3-yl]amino]azetidin-1-yl]methanone
CID 77260147
[1-methyl-3-[4-(trifluoromethyl)phenyl]indol-6-yl]-[3-[[1-(1,3-thiazole-2-carbonyl)pyrrolidin-3-yl]amino]azetidin-1-yl]methanone
CID 77260207
[(3S)-3-[[1-(5-phenyl-1,3-dihydroisoindole-2-carbonyl)azetidin-3-yl]amino]pyrrolidin-1-yl]-(1,3-thiazol-2-yl)methanone
CID 56963507
phenyl-[(3S)-3-[[1-(1-pyrimidin-2-ylindole-5-carbonyl)azetidin-3-yl]amino]pyrrolidin-1-yl]methanone
CID 56963509
[(3S)-3-[[1-(6-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)azetidin-3-yl]amino]pyrrolidin-1-yl]-(1,3-thiazol-2-yl)methanone
CID 56963505

Frequently Asked Questions

What is the IUPAC name of [6-chloro-1-(4-fluorophenyl)indol-5-yl]-[3-[[1-(1,3-thiazole-2-carbonyl)pyrrolidin-3-yl]amino]azetidin-1-yl]methanone?
The IUPAC name of [6-chloro-1-(4-fluorophenyl)indol-5-yl]-[3-[[1-(1,3-thiazole-2-carbonyl)pyrrolidin-3-yl]amino]azetidin-1-yl]methanone (CID 67518081) is [6-chloro-1-(4-fluorophenyl)indol-5-yl]-[3-[[1-(1,3-thiazole-2-carbonyl)pyrrolidin-3-yl]amino]azetidin-1-yl]methanone.
What is the SMILES notation for [6-chloro-1-(4-fluorophenyl)indol-5-yl]-[3-[[1-(1,3-thiazole-2-carbonyl)pyrrolidin-3-yl]amino]azetidin-1-yl]methanone?
The canonical SMILES for [6-chloro-1-(4-fluorophenyl)indol-5-yl]-[3-[[1-(1,3-thiazole-2-carbonyl)pyrrolidin-3-yl]amino]azetidin-1-yl]methanone is O=C(c1nccs1)N1CCC(NC2CN(C(=O)c3cc4ccn(-c5ccc(F)cc5)c4cc3Cl)C2)C1.
What is the InChIKey of [6-chloro-1-(4-fluorophenyl)indol-5-yl]-[3-[[1-(1,3-thiazole-2-carbonyl)pyrrolidin-3-yl]amino]azetidin-1-yl]methanone?
The InChIKey is RIPCJJBGDGTZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClFN5O2S/c27-22-12-23-16(5-9-33(23)20-3-1-17(28)2-4-20)11-21(22)25(34)32-14-19(15-32)30-18-6-8-31(13-18)26(35)24-29-7-10-36-24/h1-5,7,9-12,18-19,30H,6,8,13-15H2.
What are the key properties of [6-chloro-1-(4-fluorophenyl)indol-5-yl]-[3-[[1-(1,3-thiazole-2-carbonyl)pyrrolidin-3-yl]amino]azetidin-1-yl]methanone?
[6-chloro-1-(4-fluorophenyl)indol-5-yl]-[3-[[1-(1,3-thiazole-2-carbonyl)pyrrolidin-3-yl]amino]azetidin-1-yl]methanone has a molecular weight of 524.02 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-1-(4-fluorophenyl)indol-5-yl]-[3-[[1-(1,3-thiazole-2-carbonyl)pyrrolidin-3-yl]amino]azetidin-1-yl]methanone is sourced from PubChem (CID 67518081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).