cyclopropyl-[1-[3-[4-[3-(5,6-didehydropyridin-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propyl]-7-methoxyindol-3-yl]methanone

C28H29N5O3 — CID 143502594

IUPACcyclopropyl-[1-[3-[4-[3-(5,6-didehydropyridin-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propyl]-7-methoxyindol-3-yl]methanone
SMILESCOc1cccc2c(C(=O)C3CC3)cn(CCCN3CCC(c4nc(-c5c#cncc5)no4)CC3)c12
InChIInChI=1S/C28H29N5O3/c1-35-24-5-2-4-22-23(26(34)19-6-7-19)18-33(25(22)24)15-3-14-32-16-10-21(11-17-32)28-30-27(31-36-28)20-8-12-29-13-9-20/h2,4-5,8,12,18-19,21H,3,6-7,10-11,14-17H2,1H3
InChIKeyUXQUMFCOLMGVNU-UHFFFAOYSA-N
MW483.57 g/mol
LogP4.56
Rot. Bonds9

About cyclopropyl-[1-[3-[4-[3-(5,6-didehydropyridin-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propyl]-7-methoxyindol-3-yl]methanone

cyclopropyl-[1-[3-[4-[3-(5,6-didehydropyridin-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propyl]-7-methoxyindol-3-yl]methanone (PubChem CID 143502594) has the molecular formula C28H29N5O3 and a molecular weight of 483.57 g/mol. Its IUPAC name is cyclopropyl-[1-[3-[4-[3-(5,6-didehydropyridin-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propyl]-7-methoxyindol-3-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[1-[3-[4-[3-(5,6-didehydropyridin-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propyl]-7-methoxyindol-3-yl]methanone
PubChem CID143502594
Molecular FormulaC28H29N5O3
Molecular Weight483.57 g/mol
Exact Mass483.23
IUPAC Namecyclopropyl-[1-[3-[4-[3-(5,6-didehydropyridin-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propyl]-7-methoxyindol-3-yl]methanone
SMILESCOc1cccc2c(C(=O)C3CC3)cn(CCCN3CCC(c4nc(-c5c#cncc5)no4)CC3)c12
InChIInChI=1S/C28H29N5O3/c1-35-24-5-2-4-22-23(26(34)19-6-7-19)18-33(25(22)24)15-3-14-32-16-10-21(11-17-32)28-30-27(31-36-28)20-8-12-29-13-9-20/h2,4-5,8,12,18-19,21H,3,6-7,10-11,14-17H2,1H3
InChIKeyUXQUMFCOLMGVNU-UHFFFAOYSA-N
XLogP4.56
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[1-[3-[4-[3-(5,6-didehydropyridin-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propyl]-7-methoxyindol-3-yl]methanone?
The IUPAC name of cyclopropyl-[1-[3-[4-[3-(5,6-didehydropyridin-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propyl]-7-methoxyindol-3-yl]methanone (CID 143502594) is cyclopropyl-[1-[3-[4-[3-(5,6-didehydropyridin-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propyl]-7-methoxyindol-3-yl]methanone.
What is the SMILES notation for cyclopropyl-[1-[3-[4-[3-(5,6-didehydropyridin-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propyl]-7-methoxyindol-3-yl]methanone?
The canonical SMILES for cyclopropyl-[1-[3-[4-[3-(5,6-didehydropyridin-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propyl]-7-methoxyindol-3-yl]methanone is COc1cccc2c(C(=O)C3CC3)cn(CCCN3CCC(c4nc(-c5c#cncc5)no4)CC3)c12.
What is the InChIKey of cyclopropyl-[1-[3-[4-[3-(5,6-didehydropyridin-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propyl]-7-methoxyindol-3-yl]methanone?
The InChIKey is UXQUMFCOLMGVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O3/c1-35-24-5-2-4-22-23(26(34)19-6-7-19)18-33(25(22)24)15-3-14-32-16-10-21(11-17-32)28-30-27(31-36-28)20-8-12-29-13-9-20/h2,4-5,8,12,18-19,21H,3,6-7,10-11,14-17H2,1H3.
What are the key properties of cyclopropyl-[1-[3-[4-[3-(5,6-didehydropyridin-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propyl]-7-methoxyindol-3-yl]methanone?
cyclopropyl-[1-[3-[4-[3-(5,6-didehydropyridin-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propyl]-7-methoxyindol-3-yl]methanone has a molecular weight of 483.57 g/mol, XLogP of 4.56, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[1-[3-[4-[3-(5,6-didehydropyridin-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propyl]-7-methoxyindol-3-yl]methanone is sourced from PubChem (CID 143502594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).