[6-(4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-4-yl] N-spiro[1,2-dihydroindene-3,4'-piperidine]-1-ylcarbamate

C26H25N5O3 — CID 137066575

IUPAC[6-(4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-4-yl] N-spiro[1,2-dihydroindene-3,4'-piperidine]-1-ylcarbamate
SMILESO=C(NC1CC2(CCNCC2)c2ccccc21)Oc1cc(-c2ccc(O)cc2)nc2[nH]ncc12
InChIInChI=1S/C26H25N5O3/c32-17-7-5-16(6-8-17)21-13-23(19-15-28-31-24(19)29-21)34-25(33)30-22-14-26(9-11-27-12-10-26)20-4-2-1-3-18(20)22/h1-8,13,15,22,27,32H,9-12,14H2,(H,30,33)(H,28,29,31)
InChIKeyQYPCLCILMVEZCY-UHFFFAOYSA-N
MW455.52 g/mol
LogP4.19
Rot. Bonds3

About [6-(4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-4-yl] N-spiro[1,2-dihydroindene-3,4'-piperidine]-1-ylcarbamate

[6-(4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-4-yl] N-spiro[1,2-dihydroindene-3,4'-piperidine]-1-ylcarbamate (PubChem CID 137066575) has the molecular formula C26H25N5O3 and a molecular weight of 455.52 g/mol. Its IUPAC name is [6-(4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-4-yl] N-spiro[1,2-dihydroindene-3,4'-piperidine]-1-ylcarbamate.

Molecular Properties

Compound Name[6-(4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-4-yl] N-spiro[1,2-dihydroindene-3,4'-piperidine]-1-ylcarbamate
PubChem CID137066575
Molecular FormulaC26H25N5O3
Molecular Weight455.52 g/mol
Exact Mass455.20
IUPAC Name[6-(4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-4-yl] N-spiro[1,2-dihydroindene-3,4'-piperidine]-1-ylcarbamate
SMILESO=C(NC1CC2(CCNCC2)c2ccccc21)Oc1cc(-c2ccc(O)cc2)nc2[nH]ncc12
InChIInChI=1S/C26H25N5O3/c32-17-7-5-16(6-8-17)21-13-23(19-15-28-31-24(19)29-21)34-25(33)30-22-14-26(9-11-27-12-10-26)20-4-2-1-3-18(20)22/h1-8,13,15,22,27,32H,9-12,14H2,(H,30,33)(H,28,29,31)
InChIKeyQYPCLCILMVEZCY-UHFFFAOYSA-N
XLogP4.19
TPSA112.16 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 54.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-(4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-4-yl] N-spiro[1,2-dihydroindene-3,4'-piperidine]-1-ylcarbamate?
The IUPAC name of [6-(4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-4-yl] N-spiro[1,2-dihydroindene-3,4'-piperidine]-1-ylcarbamate (CID 137066575) is [6-(4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-4-yl] N-spiro[1,2-dihydroindene-3,4'-piperidine]-1-ylcarbamate.
What is the SMILES notation for [6-(4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-4-yl] N-spiro[1,2-dihydroindene-3,4'-piperidine]-1-ylcarbamate?
The canonical SMILES for [6-(4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-4-yl] N-spiro[1,2-dihydroindene-3,4'-piperidine]-1-ylcarbamate is O=C(NC1CC2(CCNCC2)c2ccccc21)Oc1cc(-c2ccc(O)cc2)nc2[nH]ncc12.
What is the InChIKey of [6-(4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-4-yl] N-spiro[1,2-dihydroindene-3,4'-piperidine]-1-ylcarbamate?
The InChIKey is QYPCLCILMVEZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O3/c32-17-7-5-16(6-8-17)21-13-23(19-15-28-31-24(19)29-21)34-25(33)30-22-14-26(9-11-27-12-10-26)20-4-2-1-3-18(20)22/h1-8,13,15,22,27,32H,9-12,14H2,(H,30,33)(H,28,29,31).
What are the key properties of [6-(4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-4-yl] N-spiro[1,2-dihydroindene-3,4'-piperidine]-1-ylcarbamate?
[6-(4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-4-yl] N-spiro[1,2-dihydroindene-3,4'-piperidine]-1-ylcarbamate has a molecular weight of 455.52 g/mol, XLogP of 4.19, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-4-yl] N-spiro[1,2-dihydroindene-3,4'-piperidine]-1-ylcarbamate is sourced from PubChem (CID 137066575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).