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

C19H19ClN2O — CID 176926248

IUPAC5-chloro-6-(6-cyclopropyloxy-3-pyridinyl)-2-propan-2-yl-1H-indole
SMILESCC(C)c1cc2cc(Cl)c(-c3ccc(OC4CC4)nc3)cc2[nH]1
InChIInChI=1S/C19H19ClN2O/c1-11(2)17-8-13-7-16(20)15(9-18(13)22-17)12-3-6-19(21-10-12)23-14-4-5-14/h3,6-11,14,22H,4-5H2,1-2H3
InChIKeyHGGXDLXTYZNWRD-UHFFFAOYSA-N
MW326.83 g/mol
LogP5.55
Rot. Bonds4

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

5-chloro-6-(6-cyclopropyloxy-3-pyridinyl)-2-propan-2-yl-1H-indole (PubChem CID 176926248) has the molecular formula C19H19ClN2O and a molecular weight of 326.83 g/mol. Its IUPAC name is 5-chloro-6-(6-cyclopropyloxy-3-pyridinyl)-2-propan-2-yl-1H-indole.

Molecular Properties

Compound Name5-chloro-6-(6-cyclopropyloxy-3-pyridinyl)-2-propan-2-yl-1H-indole
PubChem CID176926248
Molecular FormulaC19H19ClN2O
Molecular Weight326.83 g/mol
Exact Mass326.12
IUPAC Name5-chloro-6-(6-cyclopropyloxy-3-pyridinyl)-2-propan-2-yl-1H-indole
SMILESCC(C)c1cc2cc(Cl)c(-c3ccc(OC4CC4)nc3)cc2[nH]1
InChIInChI=1S/C19H19ClN2O/c1-11(2)17-8-13-7-16(20)15(9-18(13)22-17)12-3-6-19(21-10-12)23-14-4-5-14/h3,6-11,14,22H,4-5H2,1-2H3
InChIKeyHGGXDLXTYZNWRD-UHFFFAOYSA-N
XLogP5.55
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.83
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-6-(5-methoxy-3-pyridinyl)-2-propan-2-yl-1H-indole
CID 176925759
5-chloro-6-(2-cyclopropylethoxy)-2-propan-2-yl-1H-indole
CID 171731942
5-chloro-6-(2-ethoxyethoxy)-2-propan-2-yl-1H-indole
CID 171731898
2-cyclobutyloxy-5-[3-methyl-4-(4-propan-2-yl-3-pyridinyl)phenyl]pyridine
CID 155583595
2-[4-[[5-[5-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid
CID 71572387
5-chloro-4-methyl-2-piperidin-4-yloxypyridine;dihydrochloride
CID 69411333
5-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-2-methyl-1,3-thiazole
CID 171519213
5-(6-cyclobutyloxy-3-pyridinyl)-1,2-oxazol-3-one
CID 135140857
6-(6-cyclopropyloxy-3-pyridinyl)-1-methylpyrazolo[4,5-b]pyridine
CID 166288110
5-chloro-6-(1,4-dioxan-2-ylmethoxy)-2-propan-2-yl-1H-indole
CID 171731919
[4-[(5-chloro-2-pyridinyl)oxy]cyclohexyl]methanol
CID 106825756
5-(4-fluorophenyl)-2-piperidin-4-yloxypyridine
CID 22646730

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(6-cyclopropyloxy-3-pyridinyl)-2-propan-2-yl-1H-indole?
The IUPAC name of 5-chloro-6-(6-cyclopropyloxy-3-pyridinyl)-2-propan-2-yl-1H-indole (CID 176926248) is 5-chloro-6-(6-cyclopropyloxy-3-pyridinyl)-2-propan-2-yl-1H-indole.
What is the SMILES notation for 5-chloro-6-(6-cyclopropyloxy-3-pyridinyl)-2-propan-2-yl-1H-indole?
The canonical SMILES for 5-chloro-6-(6-cyclopropyloxy-3-pyridinyl)-2-propan-2-yl-1H-indole is CC(C)c1cc2cc(Cl)c(-c3ccc(OC4CC4)nc3)cc2[nH]1.
What is the InChIKey of 5-chloro-6-(6-cyclopropyloxy-3-pyridinyl)-2-propan-2-yl-1H-indole?
The InChIKey is HGGXDLXTYZNWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O/c1-11(2)17-8-13-7-16(20)15(9-18(13)22-17)12-3-6-19(21-10-12)23-14-4-5-14/h3,6-11,14,22H,4-5H2,1-2H3.
What are the key properties of 5-chloro-6-(6-cyclopropyloxy-3-pyridinyl)-2-propan-2-yl-1H-indole?
5-chloro-6-(6-cyclopropyloxy-3-pyridinyl)-2-propan-2-yl-1H-indole has a molecular weight of 326.83 g/mol, XLogP of 5.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(6-cyclopropyloxy-3-pyridinyl)-2-propan-2-yl-1H-indole is sourced from PubChem (CID 176926248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).