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

C20H18ClN3O2 — CID 25001929

IUPAC(6-chloro-1H-indol-3-yl)-spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethanone
SMILESO=C(c1c[nH]c2cc(Cl)ccc12)N1CCC2(CC1)OCc1ccncc12
InChIInChI=1S/C20H18ClN3O2/c21-14-1-2-15-16(10-23-18(15)9-14)19(25)24-7-4-20(5-8-24)17-11-22-6-3-13(17)12-26-20/h1-3,6,9-11,23H,4-5,7-8,12H2
InChIKeyRMKRYUKAFCDHJF-UHFFFAOYSA-N
MW367.84 g/mol
LogP3.88
Rot. Bonds1

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

(6-chloro-1H-indol-3-yl)-spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethanone (PubChem CID 25001929) 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[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethanone.

Molecular Properties

Compound Name(6-chloro-1H-indol-3-yl)-spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethanone
PubChem CID25001929
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC Name(6-chloro-1H-indol-3-yl)-spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethanone
SMILESO=C(c1c[nH]c2cc(Cl)ccc12)N1CCC2(CC1)OCc1ccncc12
InChIInChI=1S/C20H18ClN3O2/c21-14-1-2-15-16(10-23-18(15)9-14)19(25)24-7-4-20(5-8-24)17-11-22-6-3-13(17)12-26-20/h1-3,6,9-11,23H,4-5,7-8,12H2
InChIKeyRMKRYUKAFCDHJF-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

Analyze (6-chloro-1H-indol-3-yl)-spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethanone with MolForge

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Related Compounds

Ro-5028442
CID 59657596
(3Z)-5-chloro-3-({4-oxo-2H,4H,6H,7H-pyrano[3,4-c]pyrrol-1-yl}methylidene)-2,3-dihydro-1H-indol-2-one
CID 5331088
[6-chloro-1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]indol-3-yl]-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone
CID 11993729
2-[6-chloro-3-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)indol-1-yl]-N,N-dimethylacetamide
CID 59657523
2-[6-chloro-3-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)indol-1-yl]-N-[2-(dimethylamino)ethyl]acetamide
CID 59657559
2-[6-chloro-3-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)indol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 59657616
1-{2-[4-(6-Chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-ethyl}-isochroman-6-carboxylic acid amide
CID 44461266
1-(2-Methyl-1H-indol-3-YL)-1-oxopropan-2-YL 6-chloropyridine-3-carboxylate
CID 24686935
(6-chloro-1H-indol-3-yl)-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone
CID 15951937
1H-indol-3-yl(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methanone
CID 15952030
(6-chloro-1H-indol-3-yl)-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylmethanone
CID 15952129
1'-[(6-chloro-1H-indol-3-yl)carbonyl]spiro[3,1-benzoxazine-4,4'-piperidin]-2(1H)-one
CID 17757748

Frequently Asked Questions

What is the IUPAC name of (6-chloro-1H-indol-3-yl)-spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethanone?
The IUPAC name of (6-chloro-1H-indol-3-yl)-spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethanone (CID 25001929) is (6-chloro-1H-indol-3-yl)-spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethanone.
What is the SMILES notation for (6-chloro-1H-indol-3-yl)-spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethanone?
The canonical SMILES for (6-chloro-1H-indol-3-yl)-spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethanone is O=C(c1c[nH]c2cc(Cl)ccc12)N1CCC2(CC1)OCc1ccncc12.
What is the InChIKey of (6-chloro-1H-indol-3-yl)-spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethanone?
The InChIKey is RMKRYUKAFCDHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c21-14-1-2-15-16(10-23-18(15)9-14)19(25)24-7-4-20(5-8-24)17-11-22-6-3-13(17)12-26-20/h1-3,6,9-11,23H,4-5,7-8,12H2.
What are the key properties of (6-chloro-1H-indol-3-yl)-spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethanone?
(6-chloro-1H-indol-3-yl)-spiro[1H-furo[3,4-c]pyridine-3,4'-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[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethanone is sourced from PubChem (CID 25001929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).