5-chloro-2-propan-2-yl-6-(pyridin-2-ylmethoxy)-1H-indole

C17H17ClN2O — CID 171731967

IUPAC5-chloro-2-propan-2-yl-6-(pyridin-2-ylmethoxy)-1H-indole
SMILESCC(C)c1cc2cc(Cl)c(OCc3ccccn3)cc2[nH]1
InChIInChI=1S/C17H17ClN2O/c1-11(2)15-8-12-7-14(18)17(9-16(12)20-15)21-10-13-5-3-4-6-19-13/h3-9,11,20H,10H2,1-2H3
InChIKeyQCRQRMJYMWNEKV-UHFFFAOYSA-N
MW300.79 g/mol
LogP4.92
Rot. Bonds4

About 5-chloro-2-propan-2-yl-6-(pyridin-2-ylmethoxy)-1H-indole

5-chloro-2-propan-2-yl-6-(pyridin-2-ylmethoxy)-1H-indole (PubChem CID 171731967) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is 5-chloro-2-propan-2-yl-6-(pyridin-2-ylmethoxy)-1H-indole.

Molecular Properties

Compound Name5-chloro-2-propan-2-yl-6-(pyridin-2-ylmethoxy)-1H-indole
PubChem CID171731967
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC Name5-chloro-2-propan-2-yl-6-(pyridin-2-ylmethoxy)-1H-indole
SMILESCC(C)c1cc2cc(Cl)c(OCc3ccccn3)cc2[nH]1
InChIInChI=1S/C17H17ClN2O/c1-11(2)15-8-12-7-14(18)17(9-16(12)20-15)21-10-13-5-3-4-6-19-13/h3-9,11,20H,10H2,1-2H3
InChIKeyQCRQRMJYMWNEKV-UHFFFAOYSA-N
XLogP4.92
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]imidazo[1,2-a]pyridine
CID 171731846
3-(aminomethyl)-6-chloro-7-(pyridin-2-ylmethoxy)-1H-quinolin-2-one
CID 129034649
3-[(1S)-1-aminoethyl]-6-chloro-7-(pyridin-2-ylmethoxy)-1H-quinolin-2-one;2,2,2-trifluoroacetic acid
CID 175818903
5-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-2-methyl-1,3-thiazole
CID 171519213
N-[(1S)-1-[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-1H-quinolin-3-yl]ethyl]-2,2,2-trifluoroacetamide
CID 118965796
4-chloro-5-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,2-thiazole;5-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,2-thiazole
CID 171517997
4-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,3-thiazole;5-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,3-thiazole
CID 171519301
5-chloro-6-(2-ethoxyethoxy)-2-propan-2-yl-1H-indole
CID 171731898
5-chloro-6-(2-cyclopropylethoxy)-2-propan-2-yl-1H-indole
CID 171731942
6-chloro-3-[1-[3-(3-methylimidazol-4-yl)anilino]ethyl]-7-(pyridin-2-ylmethoxy)-1H-quinolin-2-one
CID 135378370
2-[1-[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-1H-quinolin-3-yl]ethylamino]-4-methylpyrimidine-5-carbonitrile
CID 146222029
2-[(2-chloro-4-propan-2-yloxyphenoxy)methyl]pyridine
CID 137421499

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-propan-2-yl-6-(pyridin-2-ylmethoxy)-1H-indole?
The IUPAC name of 5-chloro-2-propan-2-yl-6-(pyridin-2-ylmethoxy)-1H-indole (CID 171731967) is 5-chloro-2-propan-2-yl-6-(pyridin-2-ylmethoxy)-1H-indole.
What is the SMILES notation for 5-chloro-2-propan-2-yl-6-(pyridin-2-ylmethoxy)-1H-indole?
The canonical SMILES for 5-chloro-2-propan-2-yl-6-(pyridin-2-ylmethoxy)-1H-indole is CC(C)c1cc2cc(Cl)c(OCc3ccccn3)cc2[nH]1.
What is the InChIKey of 5-chloro-2-propan-2-yl-6-(pyridin-2-ylmethoxy)-1H-indole?
The InChIKey is QCRQRMJYMWNEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O/c1-11(2)15-8-12-7-14(18)17(9-16(12)20-15)21-10-13-5-3-4-6-19-13/h3-9,11,20H,10H2,1-2H3.
What are the key properties of 5-chloro-2-propan-2-yl-6-(pyridin-2-ylmethoxy)-1H-indole?
5-chloro-2-propan-2-yl-6-(pyridin-2-ylmethoxy)-1H-indole has a molecular weight of 300.79 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-propan-2-yl-6-(pyridin-2-ylmethoxy)-1H-indole is sourced from PubChem (CID 171731967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).