5-chloro-6-(5-methoxy-3-pyridinyl)-2-propan-2-yl-1H-indole

C17H17ClN2O — CID 176925759

IUPAC5-chloro-6-(5-methoxy-3-pyridinyl)-2-propan-2-yl-1H-indole
SMILESCOc1cncc(-c2cc3[nH]c(C(C)C)cc3cc2Cl)c1
InChIInChI=1S/C17H17ClN2O/c1-10(2)16-6-11-5-15(18)14(7-17(11)20-16)12-4-13(21-3)9-19-8-12/h4-10,20H,1-3H3
InChIKeyPLIQVQGMCHXRKI-UHFFFAOYSA-N
MW300.79 g/mol
LogP5.02
Rot. Bonds3

About 5-chloro-6-(5-methoxy-3-pyridinyl)-2-propan-2-yl-1H-indole

5-chloro-6-(5-methoxy-3-pyridinyl)-2-propan-2-yl-1H-indole (PubChem CID 176925759) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is 5-chloro-6-(5-methoxy-3-pyridinyl)-2-propan-2-yl-1H-indole.

Molecular Properties

Compound Name5-chloro-6-(5-methoxy-3-pyridinyl)-2-propan-2-yl-1H-indole
PubChem CID176925759
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC Name5-chloro-6-(5-methoxy-3-pyridinyl)-2-propan-2-yl-1H-indole
SMILESCOc1cncc(-c2cc3[nH]c(C(C)C)cc3cc2Cl)c1
InChIInChI=1S/C17H17ClN2O/c1-10(2)16-6-11-5-15(18)14(7-17(11)20-16)12-4-13(21-3)9-19-8-12/h4-10,20H,1-3H3
InChIKeyPLIQVQGMCHXRKI-UHFFFAOYSA-N
XLogP5.02
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.79
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-6-(6-cyclopropyloxy-3-pyridinyl)-2-propan-2-yl-1H-indole
CID 176926248
6-(5-chloro-2-propan-2-yl-1H-indol-6-yl)pyrazolo[1,5-a]pyridine;ethane
CID 176926239
4-[5-[6-chloro-5-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-2-pyridinyl]thiomorpholine
CID 146469069
5-chloro-6-(1-methylindol-5-yl)-2-propan-2-yl-1H-indole
CID 176925862
4-[6-chloro-5-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-1-(cyclopropylmethyl)pyridin-2-one
CID 146451886
5-chloro-6-(3-methyl-2H-pyrrol-5-yl)-2-propan-2-yl-1H-indole
CID 176926004
3-[6-chloro-5-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-1'-methylspiro[5H-furo[3,4-b]pyridine-7,3'-azetidine]
CID 146451983
1-[4-[6-chloro-5-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-2-pyridinyl]-6-oxa-1-azaspiro[3.3]heptane
CID 146451986
2,5-dichloro-4-(5-propan-2-yloxy-3-pyridinyl)phenol
CID 107663406
5-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-2-methyl-1,3-thiazole
CID 171519213
2,5,6-tri(propan-2-yl)-1H-indole
CID 134294534
5-chloro-6-(2-cyclopropylethoxy)-2-propan-2-yl-1H-indole
CID 171731942

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(5-methoxy-3-pyridinyl)-2-propan-2-yl-1H-indole?
The IUPAC name of 5-chloro-6-(5-methoxy-3-pyridinyl)-2-propan-2-yl-1H-indole (CID 176925759) is 5-chloro-6-(5-methoxy-3-pyridinyl)-2-propan-2-yl-1H-indole.
What is the SMILES notation for 5-chloro-6-(5-methoxy-3-pyridinyl)-2-propan-2-yl-1H-indole?
The canonical SMILES for 5-chloro-6-(5-methoxy-3-pyridinyl)-2-propan-2-yl-1H-indole is COc1cncc(-c2cc3[nH]c(C(C)C)cc3cc2Cl)c1.
What is the InChIKey of 5-chloro-6-(5-methoxy-3-pyridinyl)-2-propan-2-yl-1H-indole?
The InChIKey is PLIQVQGMCHXRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O/c1-10(2)16-6-11-5-15(18)14(7-17(11)20-16)12-4-13(21-3)9-19-8-12/h4-10,20H,1-3H3.
What are the key properties of 5-chloro-6-(5-methoxy-3-pyridinyl)-2-propan-2-yl-1H-indole?
5-chloro-6-(5-methoxy-3-pyridinyl)-2-propan-2-yl-1H-indole has a molecular weight of 300.79 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(5-methoxy-3-pyridinyl)-2-propan-2-yl-1H-indole is sourced from PubChem (CID 176925759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).