(6-chloro-1H-indol-3-yl)-spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-ylmethanone

C20H18ClN3O2 — CID 24997177

IUPAC(6-chloro-1H-indol-3-yl)-spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-ylmethanone
SMILESO=C(c1c[nH]c2cc(Cl)ccc12)N1CCC2(CC1)OCc1cccnc12
InChIInChI=1S/C20H18ClN3O2/c21-14-3-4-15-16(11-23-17(15)10-14)19(25)24-8-5-20(6-9-24)18-13(12-26-20)2-1-7-22-18/h1-4,7,10-11,23H,5-6,8-9,12H2
InChIKeyLWINSKSAAQRWTC-UHFFFAOYSA-N
MW367.84 g/mol
LogP3.88
Rot. Bonds1

About (6-chloro-1H-indol-3-yl)-spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-ylmethanone

(6-chloro-1H-indol-3-yl)-spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-ylmethanone (PubChem CID 24997177) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is (6-chloro-1H-indol-3-yl)-spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-ylmethanone.

Molecular Properties

Compound Name(6-chloro-1H-indol-3-yl)-spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-ylmethanone
PubChem CID24997177
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC Name(6-chloro-1H-indol-3-yl)-spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-ylmethanone
SMILESO=C(c1c[nH]c2cc(Cl)ccc12)N1CCC2(CC1)OCc1cccnc12
InChIInChI=1S/C20H18ClN3O2/c21-14-3-4-15-16(11-23-17(15)10-14)19(25)24-8-5-20(6-9-24)18-13(12-26-20)2-1-7-22-18/h1-4,7,10-11,23H,5-6,8-9,12H2
InChIKeyLWINSKSAAQRWTC-UHFFFAOYSA-N
XLogP3.88
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-chloro-1H-indol-3-yl)-spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-ylmethanone?
The IUPAC name of (6-chloro-1H-indol-3-yl)-spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-ylmethanone (CID 24997177) is (6-chloro-1H-indol-3-yl)-spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-ylmethanone.
What is the SMILES notation for (6-chloro-1H-indol-3-yl)-spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-ylmethanone?
The canonical SMILES for (6-chloro-1H-indol-3-yl)-spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-ylmethanone is O=C(c1c[nH]c2cc(Cl)ccc12)N1CCC2(CC1)OCc1cccnc12.
What is the InChIKey of (6-chloro-1H-indol-3-yl)-spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-ylmethanone?
The InChIKey is LWINSKSAAQRWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c21-14-3-4-15-16(11-23-17(15)10-14)19(25)24-8-5-20(6-9-24)18-13(12-26-20)2-1-7-22-18/h1-4,7,10-11,23H,5-6,8-9,12H2.
What are the key properties of (6-chloro-1H-indol-3-yl)-spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-ylmethanone?
(6-chloro-1H-indol-3-yl)-spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-ylmethanone has a molecular weight of 367.84 g/mol, XLogP of 3.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-1H-indol-3-yl)-spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-ylmethanone is sourced from PubChem (CID 24997177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).