2-(2-methyl-4-pyridinyl)-3-propan-2-yl-5-(2-pyrrolidin-1-ylethoxy)-1H-indole

C23H29N3O — CID 138688585

IUPAC2-(2-methyl-4-pyridinyl)-3-propan-2-yl-5-(2-pyrrolidin-1-ylethoxy)-1H-indole
SMILESCc1cc(-c2[nH]c3ccc(OCCN4CCCC4)cc3c2C(C)C)ccn1
InChIInChI=1S/C23H29N3O/c1-16(2)22-20-15-19(27-13-12-26-10-4-5-11-26)6-7-21(20)25-23(22)18-8-9-24-17(3)14-18/h6-9,14-16,25H,4-5,10-13H2,1-3H3
InChIKeyORRKPUUQPURSSR-UHFFFAOYSA-N
MW363.51 g/mol
LogP5.14
Rot. Bonds6

About 2-(2-methyl-4-pyridinyl)-3-propan-2-yl-5-(2-pyrrolidin-1-ylethoxy)-1H-indole

2-(2-methyl-4-pyridinyl)-3-propan-2-yl-5-(2-pyrrolidin-1-ylethoxy)-1H-indole (PubChem CID 138688585) has the molecular formula C23H29N3O and a molecular weight of 363.51 g/mol. Its IUPAC name is 2-(2-methyl-4-pyridinyl)-3-propan-2-yl-5-(2-pyrrolidin-1-ylethoxy)-1H-indole.

Molecular Properties

Compound Name2-(2-methyl-4-pyridinyl)-3-propan-2-yl-5-(2-pyrrolidin-1-ylethoxy)-1H-indole
PubChem CID138688585
Molecular FormulaC23H29N3O
Molecular Weight363.51 g/mol
Exact Mass363.23
IUPAC Name2-(2-methyl-4-pyridinyl)-3-propan-2-yl-5-(2-pyrrolidin-1-ylethoxy)-1H-indole
SMILESCc1cc(-c2[nH]c3ccc(OCCN4CCCC4)cc3c2C(C)C)ccn1
InChIInChI=1S/C23H29N3O/c1-16(2)22-20-15-19(27-13-12-26-10-4-5-11-26)6-7-21(20)25-23(22)18-8-9-24-17(3)14-18/h6-9,14-16,25H,4-5,10-13H2,1-3H3
InChIKeyORRKPUUQPURSSR-UHFFFAOYSA-N
XLogP5.14
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.51
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-methyl-4-pyridinyl)-3-propan-2-yl-5-(2-pyrrolidin-1-ylethoxy)-1H-indole with MolForge

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Related Compounds

2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-(2-piperidin-1-ylethyl)-1,3,4-oxadiazole
CID 154640070
5-(1-cyclohexylpiperidin-4-yl)-2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indole
CID 161065761
5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indole
CID 134329764
2-(2,6-dimethyl-4-pyridinyl)-5-[1-(2-methoxyethyl)piperidin-4-yl]-3-propan-2-yl-1H-indole
CID 134329839
2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine
CID 150976112
[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-pyrrolidin-2-ylmethanone
CID 175343898
2,6-bis[2-(azetidin-1-yl)ethoxy]-10H-acridin-9-one
CID 11406725
N-[(4-aminocyclohexyl)methyl]-2-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]propanamide
CID 154641090
2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1-[[(3R)-piperidin-3-yl]amino]propan-1-ol
CID 167082674
1-[(1R,2R)-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]cyclopropyl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone
CID 157373153
(3-methyloxetan-3-yl)-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methanone
CID 134329539
1-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-3-piperidin-4-ylpropan-1-one
CID 134329412

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-pyridinyl)-3-propan-2-yl-5-(2-pyrrolidin-1-ylethoxy)-1H-indole?
The IUPAC name of 2-(2-methyl-4-pyridinyl)-3-propan-2-yl-5-(2-pyrrolidin-1-ylethoxy)-1H-indole (CID 138688585) is 2-(2-methyl-4-pyridinyl)-3-propan-2-yl-5-(2-pyrrolidin-1-ylethoxy)-1H-indole.
What is the SMILES notation for 2-(2-methyl-4-pyridinyl)-3-propan-2-yl-5-(2-pyrrolidin-1-ylethoxy)-1H-indole?
The canonical SMILES for 2-(2-methyl-4-pyridinyl)-3-propan-2-yl-5-(2-pyrrolidin-1-ylethoxy)-1H-indole is Cc1cc(-c2[nH]c3ccc(OCCN4CCCC4)cc3c2C(C)C)ccn1.
What is the InChIKey of 2-(2-methyl-4-pyridinyl)-3-propan-2-yl-5-(2-pyrrolidin-1-ylethoxy)-1H-indole?
The InChIKey is ORRKPUUQPURSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c1-16(2)22-20-15-19(27-13-12-26-10-4-5-11-26)6-7-21(20)25-23(22)18-8-9-24-17(3)14-18/h6-9,14-16,25H,4-5,10-13H2,1-3H3.
What are the key properties of 2-(2-methyl-4-pyridinyl)-3-propan-2-yl-5-(2-pyrrolidin-1-ylethoxy)-1H-indole?
2-(2-methyl-4-pyridinyl)-3-propan-2-yl-5-(2-pyrrolidin-1-ylethoxy)-1H-indole has a molecular weight of 363.51 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4-pyridinyl)-3-propan-2-yl-5-(2-pyrrolidin-1-ylethoxy)-1H-indole is sourced from PubChem (CID 138688585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).