1-(1H-pyrrolo[2,3-b]pyridin-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxylic acid

C20H20N4O2 — CID 91053755

IUPAC1-(1H-pyrrolo[2,3-b]pyridin-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxylic acid
SMILESO=C(O)N1CCC2(CC1)CN(c1ccnc3[nH]ccc13)c1ccccc12
InChIInChI=1S/C20H20N4O2/c25-19(26)23-11-7-20(8-12-23)13-24(17-4-2-1-3-15(17)20)16-6-10-22-18-14(16)5-9-21-18/h1-6,9-10H,7-8,11-13H2,(H,21,22)(H,25,26)
InChIKeyMBDUOORHBPMTKK-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.73
Rot. Bonds1

About 1-(1H-pyrrolo[2,3-b]pyridin-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxylic acid

1-(1H-pyrrolo[2,3-b]pyridin-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxylic acid (PubChem CID 91053755) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 1-(1H-pyrrolo[2,3-b]pyridin-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxylic acid.

Molecular Properties

Compound Name1-(1H-pyrrolo[2,3-b]pyridin-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxylic acid
PubChem CID91053755
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name1-(1H-pyrrolo[2,3-b]pyridin-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxylic acid
SMILESO=C(O)N1CCC2(CC1)CN(c1ccnc3[nH]ccc13)c1ccccc12
InChIInChI=1S/C20H20N4O2/c25-19(26)23-11-7-20(8-12-23)13-24(17-4-2-1-3-15(17)20)16-6-10-22-18-14(16)5-9-21-18/h1-6,9-10H,7-8,11-13H2,(H,21,22)(H,25,26)
InChIKeyMBDUOORHBPMTKK-UHFFFAOYSA-N
XLogP3.73
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(1H-pyrrolo[2,3-b]pyridin-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxylic acid with MolForge

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Related Compounds

2-methylpropyl 1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxylate
CID 68980613
1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxylic acid
CID 91562420
4-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-yl]methyl]benzoic acid
CID 69475578
spiro[3,6,7,8-tetrahydropyrrolo[2,3-c][2,7]naphthyridine-9,4'-piperidine]-1'-carboxylic acid
CID 150014609
(5-methoxypyrimidin-2-yl)-(1-phenylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone
CID 155870777
2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-carboxylic acid
CID 68828702
(5-methylpyrazolidin-3-yl)-(1-pyridin-3-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone
CID 134077665
spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid
CID 66954084
1-methylsulfonyl-N-(2-phenylpyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide
CID 44573575
4-pyrrol-1-yl-1H-pyrrolo[2,3-b]pyridine
CID 118078364
spiro[2H-indole-3,1'-cyclohexane]-1-carboxylic acid
CID 175544645
(5-methylfuran-2-yl)-(1-phenylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone
CID 155874195

Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrrolo[2,3-b]pyridin-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxylic acid?
The IUPAC name of 1-(1H-pyrrolo[2,3-b]pyridin-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxylic acid (CID 91053755) is 1-(1H-pyrrolo[2,3-b]pyridin-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxylic acid.
What is the SMILES notation for 1-(1H-pyrrolo[2,3-b]pyridin-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxylic acid?
The canonical SMILES for 1-(1H-pyrrolo[2,3-b]pyridin-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxylic acid is O=C(O)N1CCC2(CC1)CN(c1ccnc3[nH]ccc13)c1ccccc12.
What is the InChIKey of 1-(1H-pyrrolo[2,3-b]pyridin-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxylic acid?
The InChIKey is MBDUOORHBPMTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c25-19(26)23-11-7-20(8-12-23)13-24(17-4-2-1-3-15(17)20)16-6-10-22-18-14(16)5-9-21-18/h1-6,9-10H,7-8,11-13H2,(H,21,22)(H,25,26).
What are the key properties of 1-(1H-pyrrolo[2,3-b]pyridin-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxylic acid?
1-(1H-pyrrolo[2,3-b]pyridin-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxylic acid has a molecular weight of 348.41 g/mol, XLogP of 3.73, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrrolo[2,3-b]pyridin-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxylic acid is sourced from PubChem (CID 91053755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).