2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-5-pyrrolidin-3-yl-1H-indole

C22H27N3 — CID 151132839

IUPAC2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-5-pyrrolidin-3-yl-1H-indole
SMILESCc1cc(-c2[nH]c3ccc(C4CCNC4)cc3c2C(C)C)cc(C)n1
InChIInChI=1S/C22H27N3/c1-13(2)21-19-11-16(17-7-8-23-12-17)5-6-20(19)25-22(21)18-9-14(3)24-15(4)10-18/h5-6,9-11,13,17,23,25H,7-8,12H2,1-4H3
InChIKeyMUPANLIKWABJHF-UHFFFAOYSA-N
MW333.48 g/mol
LogP5.05
Rot. Bonds3

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

2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-5-pyrrolidin-3-yl-1H-indole (PubChem CID 151132839) has the molecular formula C22H27N3 and a molecular weight of 333.48 g/mol. Its IUPAC name is 2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-5-pyrrolidin-3-yl-1H-indole.

Molecular Properties

Compound Name2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-5-pyrrolidin-3-yl-1H-indole
PubChem CID151132839
Molecular FormulaC22H27N3
Molecular Weight333.48 g/mol
Exact Mass333.22
IUPAC Name2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-5-pyrrolidin-3-yl-1H-indole
SMILESCc1cc(-c2[nH]c3ccc(C4CCNC4)cc3c2C(C)C)cc(C)n1
InChIInChI=1S/C22H27N3/c1-13(2)21-19-11-16(17-7-8-23-12-17)5-6-20(19)25-22(21)18-9-14(3)24-15(4)10-18/h5-6,9-11,13,17,23,25H,7-8,12H2,1-4H3
InChIKeyMUPANLIKWABJHF-UHFFFAOYSA-N
XLogP5.05
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.48
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-dimethyl-4-pyridinyl)-6-piperidin-4-yl-3-propan-2-yl-1H-indole;ethane
CID 164553568
2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]morpholine
CID 154639616
[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-pyrrolidin-3-ylmethanone
CID 134329407
5-piperidin-4-yl-3-propan-2-yl-2-(2,3,6-trimethyl-4-pyridinyl)-1H-indole
CID 134330320
2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-piperidin-3-yl-1,3,4-oxadiazole
CID 155225995
2-(2,6-dimethyl-4-pyridinyl)-5-[1-(oxan-4-yl)piperidin-4-yl]-3-propan-2-yl-1H-indole
CID 134329762
3-cyclopropyl-2-(2,6-dimethyl-4-pyridinyl)-5-piperidin-4-yl-1H-indole
CID 134329293
2-(2,6-dimethyl-4-pyridinyl)-5-[1-(2-methoxyethyl)piperidin-4-yl]-3-propan-2-yl-1H-indole
CID 134329839
2-[3-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide
CID 154639719
2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 134329464
2-(2,6-dimethyl-4-pyridinyl)-3-methyl-6-piperidin-3-yl-1H-indole
CID 164553706
2-(2,6-dimethyl-4-pyridinyl)-5-[1-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indole
CID 134329543

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-5-pyrrolidin-3-yl-1H-indole?
The IUPAC name of 2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-5-pyrrolidin-3-yl-1H-indole (CID 151132839) is 2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-5-pyrrolidin-3-yl-1H-indole.
What is the SMILES notation for 2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-5-pyrrolidin-3-yl-1H-indole?
The canonical SMILES for 2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-5-pyrrolidin-3-yl-1H-indole is Cc1cc(-c2[nH]c3ccc(C4CCNC4)cc3c2C(C)C)cc(C)n1.
What is the InChIKey of 2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-5-pyrrolidin-3-yl-1H-indole?
The InChIKey is MUPANLIKWABJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3/c1-13(2)21-19-11-16(17-7-8-23-12-17)5-6-20(19)25-22(21)18-9-14(3)24-15(4)10-18/h5-6,9-11,13,17,23,25H,7-8,12H2,1-4H3.
What are the key properties of 2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-5-pyrrolidin-3-yl-1H-indole?
2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-5-pyrrolidin-3-yl-1H-indole has a molecular weight of 333.48 g/mol, XLogP of 5.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-5-pyrrolidin-3-yl-1H-indole is sourced from PubChem (CID 151132839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).