6-chloro-4-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indole

C17H18ClN3O2 — CID 175969469

IUPAC6-chloro-4-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indole
SMILESCOc1cc(Cl)cc2[nH]cc(-c3cnn(C4CCCCO4)c3)c12
InChIInChI=1S/C17H18ClN3O2/c1-22-15-7-12(18)6-14-17(15)13(9-19-14)11-8-20-21(10-11)16-4-2-3-5-23-16/h6-10,16,19H,2-5H2,1H3
InChIKeyAQZGTPIZIZXZOA-UHFFFAOYSA-N
MW331.80 g/mol
LogP4.39
Rot. Bonds3

About 6-chloro-4-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indole

6-chloro-4-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indole (PubChem CID 175969469) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is 6-chloro-4-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indole.

Molecular Properties

Compound Name6-chloro-4-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indole
PubChem CID175969469
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC Name6-chloro-4-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indole
SMILESCOc1cc(Cl)cc2[nH]cc(-c3cnn(C4CCCCO4)c3)c12
InChIInChI=1S/C17H18ClN3O2/c1-22-15-7-12(18)6-14-17(15)13(9-19-14)11-8-20-21(10-11)16-4-2-3-5-23-16/h6-10,16,19H,2-5H2,1H3
InChIKeyAQZGTPIZIZXZOA-UHFFFAOYSA-N
XLogP4.39
TPSA52.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-chlorophenyl)-1-((4-methoxy-1H-indol-3-yl)methyl)piperidin-4-ol
CID 49798877
7-chloro-N-[2-[4-[(1-methyl-9H-pyrido[3,4-b]indol-7-yl)oxymethyl]triazol-1-yl]ethyl]quinolin-4-amine
CID 168287730
1-chloro-8-methoxy-7-(1,3,5-trimethylpyrazol-4-yl)-5H-pyrido[4,3-b]indole
CID 90388075
US20230391786, Example 70
CID 170426739
US20230391786, Example 183
CID 170426826
US20230391786, Example 126
CID 170426882
US20230391786, Example 184
CID 170426899
US20230391786, Example 71
CID 170427890
1-(9H-carbazol-4-yloxy)-3-[[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl-methylamino]propan-2-ol
CID 141761145
1-(9H-carbazol-4-yloxy)-3-[[1-[(2-chlorophenyl)methyl]-3-methylpyrazol-4-yl]methyl-methylamino]propan-2-ol
CID 141761149
US20230391786, Example 207
CID 170426667
US20230391786, Example 88
CID 170426894

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indole?
The IUPAC name of 6-chloro-4-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indole (CID 175969469) is 6-chloro-4-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indole.
What is the SMILES notation for 6-chloro-4-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indole?
The canonical SMILES for 6-chloro-4-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indole is COc1cc(Cl)cc2[nH]cc(-c3cnn(C4CCCCO4)c3)c12.
What is the InChIKey of 6-chloro-4-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indole?
The InChIKey is AQZGTPIZIZXZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c1-22-15-7-12(18)6-14-17(15)13(9-19-14)11-8-20-21(10-11)16-4-2-3-5-23-16/h6-10,16,19H,2-5H2,1H3.
What are the key properties of 6-chloro-4-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indole?
6-chloro-4-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indole has a molecular weight of 331.80 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indole is sourced from PubChem (CID 175969469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).