2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-4-propan-2-ylmorpholine

C25H33N3O — CID 154639611

IUPAC2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-4-propan-2-ylmorpholine
SMILESCc1cc(-c2[nH]c3ccc(C4CN(C(C)C)CCO4)cc3c2C(C)C)cc(C)n1
InChIInChI=1S/C25H33N3O/c1-15(2)24-21-13-19(23-14-28(16(3)4)9-10-29-23)7-8-22(21)27-25(24)20-11-17(5)26-18(6)12-20/h7-8,11-13,15-16,23,27H,9-10,14H2,1-6H3
InChIKeyYFHVZRBLNAKVHI-UHFFFAOYSA-N
MW391.56 g/mol
LogP5.75
Rot. Bonds4

About 2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-4-propan-2-ylmorpholine

2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-4-propan-2-ylmorpholine (PubChem CID 154639611) has the molecular formula C25H33N3O and a molecular weight of 391.56 g/mol. Its IUPAC name is 2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-4-propan-2-ylmorpholine.

Molecular Properties

Compound Name2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-4-propan-2-ylmorpholine
PubChem CID154639611
Molecular FormulaC25H33N3O
Molecular Weight391.56 g/mol
Exact Mass391.26
IUPAC Name2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-4-propan-2-ylmorpholine
SMILESCc1cc(-c2[nH]c3ccc(C4CN(C(C)C)CCO4)cc3c2C(C)C)cc(C)n1
InChIInChI=1S/C25H33N3O/c1-15(2)24-21-13-19(23-14-28(16(3)4)9-10-29-23)7-8-22(21)27-25(24)20-11-17(5)26-18(6)12-20/h7-8,11-13,15-16,23,27H,9-10,14H2,1-6H3
InChIKeyYFHVZRBLNAKVHI-UHFFFAOYSA-N
XLogP5.75
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.56
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-4-propan-2-ylmorpholine with MolForge

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Launch Full Analysis

Related Compounds

2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]morpholine
CID 154639616
2-(2,6-dimethyl-4-pyridinyl)-5-[1-(oxan-4-yl)piperidin-4-yl]-3-propan-2-yl-1H-indole
CID 134329762
2-(2,6-dimethyl-4-pyridinyl)-5-[1-(2-methoxyethyl)piperidin-4-yl]-3-propan-2-yl-1H-indole
CID 134329839
2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-5-pyrrolidin-3-yl-1H-indole
CID 151132839
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-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-[(3R)-1-propan-2-ylpiperidin-3-yl]-1,3,4-oxadiazole
CID 154640098
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-(2,6-dimethyl-4-pyridinyl)-5-[1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indole
CID 134329401
[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-pyrrolidin-3-ylmethanone
CID 134329407
1-[3-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 155142300
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
1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
CID 134330087

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-4-propan-2-ylmorpholine?
The IUPAC name of 2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-4-propan-2-ylmorpholine (CID 154639611) is 2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-4-propan-2-ylmorpholine.
What is the SMILES notation for 2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-4-propan-2-ylmorpholine?
The canonical SMILES for 2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-4-propan-2-ylmorpholine is Cc1cc(-c2[nH]c3ccc(C4CN(C(C)C)CCO4)cc3c2C(C)C)cc(C)n1.
What is the InChIKey of 2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-4-propan-2-ylmorpholine?
The InChIKey is YFHVZRBLNAKVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O/c1-15(2)24-21-13-19(23-14-28(16(3)4)9-10-29-23)7-8-22(21)27-25(24)20-11-17(5)26-18(6)12-20/h7-8,11-13,15-16,23,27H,9-10,14H2,1-6H3.
What are the key properties of 2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-4-propan-2-ylmorpholine?
2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-4-propan-2-ylmorpholine has a molecular weight of 391.56 g/mol, XLogP of 5.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-4-propan-2-ylmorpholine is sourced from PubChem (CID 154639611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).