(5-chloro-1H-indol-2-yl)-[3-hydroxy-3-(3-methyltriazol-4-yl)azetidin-1-yl]methanone

C15H14ClN5O2 — CID 166263129

IUPAC(5-chloro-1H-indol-2-yl)-[3-hydroxy-3-(3-methyltriazol-4-yl)azetidin-1-yl]methanone
SMILESCn1nncc1C1(O)CN(C(=O)c2cc3cc(Cl)ccc3[nH]2)C1
InChIInChI=1S/C15H14ClN5O2/c1-20-13(6-17-19-20)15(23)7-21(8-15)14(22)12-5-9-4-10(16)2-3-11(9)18-12/h2-6,18,23H,7-8H2,1H3
InChIKeyAVMHQLXAUWICQJ-UHFFFAOYSA-N
MW331.76 g/mol
LogP1.29
Rot. Bonds2

About (5-chloro-1H-indol-2-yl)-[3-hydroxy-3-(3-methyltriazol-4-yl)azetidin-1-yl]methanone

(5-chloro-1H-indol-2-yl)-[3-hydroxy-3-(3-methyltriazol-4-yl)azetidin-1-yl]methanone (PubChem CID 166263129) has the molecular formula C15H14ClN5O2 and a molecular weight of 331.76 g/mol. Its IUPAC name is (5-chloro-1H-indol-2-yl)-[3-hydroxy-3-(3-methyltriazol-4-yl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloro-1H-indol-2-yl)-[3-hydroxy-3-(3-methyltriazol-4-yl)azetidin-1-yl]methanone
PubChem CID166263129
Molecular FormulaC15H14ClN5O2
Molecular Weight331.76 g/mol
Exact Mass331.08
IUPAC Name(5-chloro-1H-indol-2-yl)-[3-hydroxy-3-(3-methyltriazol-4-yl)azetidin-1-yl]methanone
SMILESCn1nncc1C1(O)CN(C(=O)c2cc3cc(Cl)ccc3[nH]2)C1
InChIInChI=1S/C15H14ClN5O2/c1-20-13(6-17-19-20)15(23)7-21(8-15)14(22)12-5-9-4-10(16)2-3-11(9)18-12/h2-6,18,23H,7-8H2,1H3
InChIKeyAVMHQLXAUWICQJ-UHFFFAOYSA-N
XLogP1.29
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.76
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(5-chloro-1H-indol-2-yl)-pyrrolidin-1-ylmethanone
CID 3661150
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(5-chloro-1H-indol-2-yl)methanone
CID 58646827
(5-chloro-1H-indol-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 46556347
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5-chloro-1H-indole-2-carboxylic acid;ethane
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(5-chloro-1H-indol-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
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[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-naphthalen-1-ylmethanone
CID 46579208
5-chloro-1H-indole-2-carboxylate
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[4-(5-chloro-1H-indole-2-carbonyl)-1,4-diazepan-1-yl]-(2-fluorophenyl)methanone
CID 78850390
2-[2-[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126913336
(5-chloro-1H-indol-2-yl)-[4-(5-methyl-1,2-benzothiazole-3-carbonyl)piperazin-1-yl]methanone
CID 53006023
[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
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Frequently Asked Questions

What is the IUPAC name of (5-chloro-1H-indol-2-yl)-[3-hydroxy-3-(3-methyltriazol-4-yl)azetidin-1-yl]methanone?
The IUPAC name of (5-chloro-1H-indol-2-yl)-[3-hydroxy-3-(3-methyltriazol-4-yl)azetidin-1-yl]methanone (CID 166263129) is (5-chloro-1H-indol-2-yl)-[3-hydroxy-3-(3-methyltriazol-4-yl)azetidin-1-yl]methanone.
What is the SMILES notation for (5-chloro-1H-indol-2-yl)-[3-hydroxy-3-(3-methyltriazol-4-yl)azetidin-1-yl]methanone?
The canonical SMILES for (5-chloro-1H-indol-2-yl)-[3-hydroxy-3-(3-methyltriazol-4-yl)azetidin-1-yl]methanone is Cn1nncc1C1(O)CN(C(=O)c2cc3cc(Cl)ccc3[nH]2)C1.
What is the InChIKey of (5-chloro-1H-indol-2-yl)-[3-hydroxy-3-(3-methyltriazol-4-yl)azetidin-1-yl]methanone?
The InChIKey is AVMHQLXAUWICQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5O2/c1-20-13(6-17-19-20)15(23)7-21(8-15)14(22)12-5-9-4-10(16)2-3-11(9)18-12/h2-6,18,23H,7-8H2,1H3.
What are the key properties of (5-chloro-1H-indol-2-yl)-[3-hydroxy-3-(3-methyltriazol-4-yl)azetidin-1-yl]methanone?
(5-chloro-1H-indol-2-yl)-[3-hydroxy-3-(3-methyltriazol-4-yl)azetidin-1-yl]methanone has a molecular weight of 331.76 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1H-indol-2-yl)-[3-hydroxy-3-(3-methyltriazol-4-yl)azetidin-1-yl]methanone is sourced from PubChem (CID 166263129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).