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

C28H35N5O — CID 154640098

IUPAC2-[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
SMILESCc1cc(-c2[nH]c3ccc(-c4nnc([C@@H]5CCCN(C(C)C)C5)o4)cc3c2C(C)C)cc(C)n1
InChIInChI=1S/C28H35N5O/c1-16(2)25-23-14-20(9-10-24(23)30-26(25)22-12-18(5)29-19(6)13-22)27-31-32-28(34-27)21-8-7-11-33(15-21)17(3)4/h9-10,12-14,16-17,21,30H,7-8,11,15H2,1-6H3/t21-/m1/s1
InChIKeyKDRVSLHEPSSEOW-OAQYLSRUSA-N
MW457.62 g/mol
LogP6.61
Rot. Bonds5

About 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

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 (PubChem CID 154640098) has the molecular formula C28H35N5O and a molecular weight of 457.62 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID154640098
Molecular FormulaC28H35N5O
Molecular Weight457.62 g/mol
Exact Mass457.28
IUPAC Name2-[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
SMILESCc1cc(-c2[nH]c3ccc(-c4nnc([C@@H]5CCCN(C(C)C)C5)o4)cc3c2C(C)C)cc(C)n1
InChIInChI=1S/C28H35N5O/c1-16(2)25-23-14-20(9-10-24(23)30-26(25)22-12-18(5)29-19(6)13-22)27-31-32-28(34-27)21-8-7-11-33(15-21)17(3)4/h9-10,12-14,16-17,21,30H,7-8,11,15H2,1-6H3/t21-/m1/s1
InChIKeyKDRVSLHEPSSEOW-OAQYLSRUSA-N
XLogP6.61
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.62
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 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 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]-5-piperidin-3-yl-1,3,4-oxadiazole
CID 155225995
2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-4-propan-2-ylmorpholine
CID 154639611
N,N-dimethyl-2-[4-[5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide
CID 154639939
2-(2-imidazo[1,2-a]pyridin-6-yl-3-propan-2-yl-1H-indol-5-yl)-5-[(3R)-piperidin-3-yl]-1,3,4-oxadiazole
CID 154640079
2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-5-pyrrolidin-3-yl-1H-indole
CID 151132839
2-[3-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide
CID 154639719
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-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-propan-2-yl-1,3,4-oxadiazole
CID 155225982
2-(2,6-dimethyl-4-pyridinyl)-5-[1-(oxan-4-yl)piperidin-4-yl]-3-propan-2-yl-1H-indole
CID 134329762
2-[5-(2,6-dimethyl-4-pyridinyl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]-5-piperidin-4-yl-1,3,4-oxadiazole
CID 164876597
2-[(4-methylpiperazin-1-yl)methyl]-5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazole
CID 154640027
2-[2-(3,4-dimethoxyphenyl)-3-(2,2,2-trifluoroethyl)-1H-indol-5-yl]-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole
CID 155226007

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(-c2[nH]c3ccc(-c4nnc([C@@H]5CCCN(C(C)C)C5)o4)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]-5-[(3R)-1-propan-2-ylpiperidin-3-yl]-1,3,4-oxadiazole?
The InChIKey is KDRVSLHEPSSEOW-OAQYLSRUSA-N. The full InChI is InChI=1S/C28H35N5O/c1-16(2)25-23-14-20(9-10-24(23)30-26(25)22-12-18(5)29-19(6)13-22)27-31-32-28(34-27)21-8-7-11-33(15-21)17(3)4/h9-10,12-14,16-17,21,30H,7-8,11,15H2,1-6H3/t21-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 457.62 g/mol, XLogP of 6.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 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]-5-[(3R)-1-propan-2-ylpiperidin-3-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 154640098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).