cyclopropyl-[7-methoxy-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]methanone

C28H31N5O3 — CID 58967762

IUPACcyclopropyl-[7-methoxy-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]methanone
SMILESCOc1cccc2c(C(=O)C3CC3)cn(CCCN3CCC(c4nc(-c5cccnc5)no4)CC3)c12
InChIInChI=1S/C28H31N5O3/c1-35-24-7-2-6-22-23(26(34)19-8-9-19)18-33(25(22)24)14-4-13-32-15-10-20(11-16-32)28-30-27(31-36-28)21-5-3-12-29-17-21/h2-3,5-7,12,17-20H,4,8-11,13-16H2,1H3
InChIKeySRIRSOHEAKPAET-UHFFFAOYSA-N
MW485.59 g/mol
LogP4.96
Rot. Bonds9

About cyclopropyl-[7-methoxy-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]methanone

cyclopropyl-[7-methoxy-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]methanone (PubChem CID 58967762) has the molecular formula C28H31N5O3 and a molecular weight of 485.59 g/mol. Its IUPAC name is cyclopropyl-[7-methoxy-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[7-methoxy-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]methanone
PubChem CID58967762
Molecular FormulaC28H31N5O3
Molecular Weight485.59 g/mol
Exact Mass485.24
IUPAC Namecyclopropyl-[7-methoxy-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]methanone
SMILESCOc1cccc2c(C(=O)C3CC3)cn(CCCN3CCC(c4nc(-c5cccnc5)no4)CC3)c12
InChIInChI=1S/C28H31N5O3/c1-35-24-7-2-6-22-23(26(34)19-8-9-19)18-33(25(22)24)14-4-13-32-15-10-20(11-16-32)28-30-27(31-36-28)21-5-3-12-29-17-21/h2-3,5-7,12,17-20H,4,8-11,13-16H2,1H3
InChIKeySRIRSOHEAKPAET-UHFFFAOYSA-N
XLogP4.96
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.59
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[7-methoxy-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]methanone?
The IUPAC name of cyclopropyl-[7-methoxy-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]methanone (CID 58967762) is cyclopropyl-[7-methoxy-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]methanone.
What is the SMILES notation for cyclopropyl-[7-methoxy-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]methanone?
The canonical SMILES for cyclopropyl-[7-methoxy-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]methanone is COc1cccc2c(C(=O)C3CC3)cn(CCCN3CCC(c4nc(-c5cccnc5)no4)CC3)c12.
What is the InChIKey of cyclopropyl-[7-methoxy-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]methanone?
The InChIKey is SRIRSOHEAKPAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O3/c1-35-24-7-2-6-22-23(26(34)19-8-9-19)18-33(25(22)24)14-4-13-32-15-10-20(11-16-32)28-30-27(31-36-28)21-5-3-12-29-17-21/h2-3,5-7,12,17-20H,4,8-11,13-16H2,1H3.
What are the key properties of cyclopropyl-[7-methoxy-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]methanone?
cyclopropyl-[7-methoxy-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]methanone has a molecular weight of 485.59 g/mol, XLogP of 4.96, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[7-methoxy-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]methanone is sourced from PubChem (CID 58967762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).