[1-(1H-indazole-5-carbonyl)piperidin-3-yl]-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-ylmethanone

C25H26N4O3 — CID 154839752

IUPAC[1-(1H-indazole-5-carbonyl)piperidin-3-yl]-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-ylmethanone
SMILESO=C(c1ccc2[nH]ncc2c1)N1CCCC(C(=O)N2CCC3(C2)OCc2ccccc23)C1
InChIInChI=1S/C25H26N4O3/c30-23(17-7-8-22-20(12-17)13-26-27-22)28-10-3-5-18(14-28)24(31)29-11-9-25(16-29)21-6-2-1-4-19(21)15-32-25/h1-2,4,6-8,12-13,18H,3,5,9-11,14-16H2,(H,26,27)
InChIKeyZBTRMCODYJLVBS-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.07
Rot. Bonds2

About [1-(1H-indazole-5-carbonyl)piperidin-3-yl]-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-ylmethanone

[1-(1H-indazole-5-carbonyl)piperidin-3-yl]-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-ylmethanone (PubChem CID 154839752) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is [1-(1H-indazole-5-carbonyl)piperidin-3-yl]-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-ylmethanone.

Molecular Properties

Compound Name[1-(1H-indazole-5-carbonyl)piperidin-3-yl]-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-ylmethanone
PubChem CID154839752
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC Name[1-(1H-indazole-5-carbonyl)piperidin-3-yl]-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-ylmethanone
SMILESO=C(c1ccc2[nH]ncc2c1)N1CCCC(C(=O)N2CCC3(C2)OCc2ccccc23)C1
InChIInChI=1S/C25H26N4O3/c30-23(17-7-8-22-20(12-17)13-26-27-22)28-10-3-5-18(14-28)24(31)29-11-9-25(16-29)21-6-2-1-4-19(21)15-32-25/h1-2,4,6-8,12-13,18H,3,5,9-11,14-16H2,(H,26,27)
InChIKeyZBTRMCODYJLVBS-UHFFFAOYSA-N
XLogP3.07
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-hydroxypiperidin-1-yl)-(1H-indazol-5-yl)methanone
CID 43502692
[(3S)-3-hydroxypiperidin-1-yl]-(1H-indazol-5-yl)methanone
CID 93084212
[1-(1H-indazole-5-carbonyl)piperidin-3-yl]-(2-methylpiperazin-1-yl)methanone
CID 167885425
[1-(1H-indazole-5-carbonyl)piperidin-3-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 154833498
(5,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(1H-indazole-5-carbonyl)piperidin-3-yl]methanone
CID 154840100
(3-hydroxypyrrolidin-1-yl)-(1H-indazol-5-yl)methanone
CID 62916238
[(3R,4R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-hydroxypiperidin-1-yl]-(1H-indazol-5-yl)methanone
CID 176799648
N-[4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)phenyl]cyclopropanecarboxamide
CID 90350182
(5-chloro-6-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-3-pyridinyl)-pyrrolidin-1-ylmethanone
CID 10046387
1-(1H-indazole-5-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63146607
(4-fluoro-3-methylphenyl)-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone
CID 154839329
N-[3-(spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carbonyl)phenyl]propanamide
CID 126795764

Frequently Asked Questions

What is the IUPAC name of [1-(1H-indazole-5-carbonyl)piperidin-3-yl]-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-ylmethanone?
The IUPAC name of [1-(1H-indazole-5-carbonyl)piperidin-3-yl]-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-ylmethanone (CID 154839752) is [1-(1H-indazole-5-carbonyl)piperidin-3-yl]-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-ylmethanone.
What is the SMILES notation for [1-(1H-indazole-5-carbonyl)piperidin-3-yl]-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-ylmethanone?
The canonical SMILES for [1-(1H-indazole-5-carbonyl)piperidin-3-yl]-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-ylmethanone is O=C(c1ccc2[nH]ncc2c1)N1CCCC(C(=O)N2CCC3(C2)OCc2ccccc23)C1.
What is the InChIKey of [1-(1H-indazole-5-carbonyl)piperidin-3-yl]-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-ylmethanone?
The InChIKey is ZBTRMCODYJLVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c30-23(17-7-8-22-20(12-17)13-26-27-22)28-10-3-5-18(14-28)24(31)29-11-9-25(16-29)21-6-2-1-4-19(21)15-32-25/h1-2,4,6-8,12-13,18H,3,5,9-11,14-16H2,(H,26,27).
What are the key properties of [1-(1H-indazole-5-carbonyl)piperidin-3-yl]-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-ylmethanone?
[1-(1H-indazole-5-carbonyl)piperidin-3-yl]-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-ylmethanone has a molecular weight of 430.51 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1H-indazole-5-carbonyl)piperidin-3-yl]-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-ylmethanone is sourced from PubChem (CID 154839752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).