3-cyclopropyl-2-(2,6-dimethyl-4-pyridinyl)-5-piperidin-4-yl-1H-indole

C23H27N3 — CID 134329293

IUPAC3-cyclopropyl-2-(2,6-dimethyl-4-pyridinyl)-5-piperidin-4-yl-1H-indole
SMILESCc1cc(-c2[nH]c3ccc(C4CCNCC4)cc3c2C2CC2)cc(C)n1
InChIInChI=1S/C23H27N3/c1-14-11-19(12-15(2)25-14)23-22(17-3-4-17)20-13-18(5-6-21(20)26-23)16-7-9-24-10-8-16/h5-6,11-13,16-17,24,26H,3-4,7-10H2,1-2H3
InChIKeyQHRWVERKWHDFPF-UHFFFAOYSA-N
MW345.49 g/mol
LogP5.19
Rot. Bonds3

About 3-cyclopropyl-2-(2,6-dimethyl-4-pyridinyl)-5-piperidin-4-yl-1H-indole

3-cyclopropyl-2-(2,6-dimethyl-4-pyridinyl)-5-piperidin-4-yl-1H-indole (PubChem CID 134329293) has the molecular formula C23H27N3 and a molecular weight of 345.49 g/mol. Its IUPAC name is 3-cyclopropyl-2-(2,6-dimethyl-4-pyridinyl)-5-piperidin-4-yl-1H-indole.

Molecular Properties

Compound Name3-cyclopropyl-2-(2,6-dimethyl-4-pyridinyl)-5-piperidin-4-yl-1H-indole
PubChem CID134329293
Molecular FormulaC23H27N3
Molecular Weight345.49 g/mol
Exact Mass345.22
IUPAC Name3-cyclopropyl-2-(2,6-dimethyl-4-pyridinyl)-5-piperidin-4-yl-1H-indole
SMILESCc1cc(-c2[nH]c3ccc(C4CCNCC4)cc3c2C2CC2)cc(C)n1
InChIInChI=1S/C23H27N3/c1-14-11-19(12-15(2)25-14)23-22(17-3-4-17)20-13-18(5-6-21(20)26-23)16-7-9-24-10-8-16/h5-6,11-13,16-17,24,26H,3-4,7-10H2,1-2H3
InChIKeyQHRWVERKWHDFPF-UHFFFAOYSA-N
XLogP5.19
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.49
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-5-pyrrolidin-3-yl-1H-indole
CID 151132839
2-(2,6-dimethyl-4-pyridinyl)-6-piperidin-4-yl-3-propan-2-yl-1H-indole;ethane
CID 164553568
2,3-dimethyl-5-piperidin-4-yl-1H-indole
CID 82391168
2,6-dimethyl-4-piperidin-4-ylpyridine
CID 82403777
5-piperidin-4-yl-3-propan-2-yl-2-(2,3,6-trimethyl-4-pyridinyl)-1H-indole
CID 134330320
2-(2,6-dimethyl-4-pyridinyl)-3-methyl-6-piperidin-3-yl-1H-indole
CID 164553706
5-chloro-2-(4-fluorophenyl)-3-piperidin-4-yl-1H-indole
CID 70095651
[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-pyrrolidin-3-ylmethanone
CID 134329407
2-(2,6-dimethyl-4-pyridinyl)-5-[1-(oxan-4-yl)piperidin-4-yl]-3-propan-2-yl-1H-indole
CID 134329762
3-cyclopropyl-9H-carbazole
CID 144848262
2-methyl-7-(3-methyl-5-piperidin-4-yl-1H-indol-2-yl)-1H-imidazo[4,5-b]pyridine
CID 142594625
2-(2,6-dimethyl-4-pyridinyl)-5-[1-(2-methoxyethyl)piperidin-4-yl]-3-propan-2-yl-1H-indole
CID 134329839

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-(2,6-dimethyl-4-pyridinyl)-5-piperidin-4-yl-1H-indole?
The IUPAC name of 3-cyclopropyl-2-(2,6-dimethyl-4-pyridinyl)-5-piperidin-4-yl-1H-indole (CID 134329293) is 3-cyclopropyl-2-(2,6-dimethyl-4-pyridinyl)-5-piperidin-4-yl-1H-indole.
What is the SMILES notation for 3-cyclopropyl-2-(2,6-dimethyl-4-pyridinyl)-5-piperidin-4-yl-1H-indole?
The canonical SMILES for 3-cyclopropyl-2-(2,6-dimethyl-4-pyridinyl)-5-piperidin-4-yl-1H-indole is Cc1cc(-c2[nH]c3ccc(C4CCNCC4)cc3c2C2CC2)cc(C)n1.
What is the InChIKey of 3-cyclopropyl-2-(2,6-dimethyl-4-pyridinyl)-5-piperidin-4-yl-1H-indole?
The InChIKey is QHRWVERKWHDFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3/c1-14-11-19(12-15(2)25-14)23-22(17-3-4-17)20-13-18(5-6-21(20)26-23)16-7-9-24-10-8-16/h5-6,11-13,16-17,24,26H,3-4,7-10H2,1-2H3.
What are the key properties of 3-cyclopropyl-2-(2,6-dimethyl-4-pyridinyl)-5-piperidin-4-yl-1H-indole?
3-cyclopropyl-2-(2,6-dimethyl-4-pyridinyl)-5-piperidin-4-yl-1H-indole has a molecular weight of 345.49 g/mol, XLogP of 5.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-(2,6-dimethyl-4-pyridinyl)-5-piperidin-4-yl-1H-indole is sourced from PubChem (CID 134329293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).