2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-[4-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazole

C26H27F3N4O — CID 148969316

IUPAC2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-[4-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazole
SMILESCc1cc(-c2[nH]c3ccc(-c4nnc(C5CCC(C(F)(F)F)CC5)o4)cc3c2C(C)C)ccn1
InChIInChI=1S/C26H27F3N4O/c1-14(2)22-20-13-18(6-9-21(20)31-23(22)17-10-11-30-15(3)12-17)25-33-32-24(34-25)16-4-7-19(8-5-16)26(27,28)29/h6,9-14,16,19,31H,4-5,7-8H2,1-3H3
InChIKeyPTODGMATPBZXBG-UHFFFAOYSA-N
MW468.52 g/mol
LogP7.55
Rot. Bonds4

About 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-[4-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazole

2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-[4-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazole (PubChem CID 148969316) has the molecular formula C26H27F3N4O and a molecular weight of 468.52 g/mol. Its IUPAC name is 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-[4-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-[4-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazole
PubChem CID148969316
Molecular FormulaC26H27F3N4O
Molecular Weight468.52 g/mol
Exact Mass468.21
IUPAC Name2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-[4-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazole
SMILESCc1cc(-c2[nH]c3ccc(-c4nnc(C5CCC(C(F)(F)F)CC5)o4)cc3c2C(C)C)ccn1
InChIInChI=1S/C26H27F3N4O/c1-14(2)22-20-13-18(6-9-21(20)31-23(22)17-10-11-30-15(3)12-17)25-33-32-24(34-25)16-4-7-19(8-5-16)26(27,28)29/h6,9-14,16,19,31H,4-5,7-8H2,1-3H3
InChIKeyPTODGMATPBZXBG-UHFFFAOYSA-N
XLogP7.55
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.52
LogP ≤ 57.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1H-indol-5-yl)-3-(5-isopropyl-1,3,4-oxadiazol-2-yl)pyridin-2-amine
CID 77106364
3-(5-Cyclopropyl-1,3,4-oxadiazol-2-yl)-5-(1H-indol-5-yl)-2-pyridinamine
CID 77106960
2-(1H-indol-3-yl)-5-pyridin-4-yl-1,3,4-oxadiazole
CID 135908466
5-[3-[6-(propan-2-ylamino)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine
CID 66554557
5-(3-(4-cyclopropylpyrimidin-2-yl)-1H-indol-5-yl)-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine
CID 66554727
5-[3-(6-cyclopropylpyrazin-2-yl)-1H-indol-5-yl]-N-propan-2-yl-1,3,4-oxadiazol-2-amine
CID 66554730
1-(3,4-Dihydro-2H-quinolin-1-yl)-2-[5-(2,3-dimethyl-1H-indol-5-yl)-[1,3,4]oxadiazol-2-ylsulfanyl]-ethanone
CID 650148
3-[4-(4-Phenyl-piperidin-1-yl)-butyl]-1H-indole-5-carboxylic acid methyl ester
CID 12137276
(E)-N-hydroxy-3-[4-[5-(1H-indol-3-ylmethyl)-1,3,4-oxadiazol-2-yl]phenyl]prop-2-enamide
CID 118707836
2-(1H-indol-3-yl)-5-pyridin-3-yl-1,3,4-oxadiazole
CID 135908467
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1H-indole
CID 135876310
methyl 3-(1H-indol-3-ylmethyl)-1H-indole-5-carboxylate
CID 137656606

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-[4-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-[4-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazole (CID 148969316) is 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-[4-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-[4-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-[4-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazole is Cc1cc(-c2[nH]c3ccc(-c4nnc(C5CCC(C(F)(F)F)CC5)o4)cc3c2C(C)C)ccn1.
What is the InChIKey of 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-[4-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazole?
The InChIKey is PTODGMATPBZXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N4O/c1-14(2)22-20-13-18(6-9-21(20)31-23(22)17-10-11-30-15(3)12-17)25-33-32-24(34-25)16-4-7-19(8-5-16)26(27,28)29/h6,9-14,16,19,31H,4-5,7-8H2,1-3H3.
What are the key properties of 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-[4-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazole?
2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-[4-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazole has a molecular weight of 468.52 g/mol, XLogP of 7.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-[4-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazole is sourced from PubChem (CID 148969316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).