[6-(4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-4-yl] N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]carbamate

C20H21N5O3 — CID 137066598

IUPAC[6-(4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-4-yl] N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]carbamate
SMILESO=C(N[C@@H]1CN2CCC1CC2)Oc1cc(-c2ccc(O)cc2)nc2[nH]ncc12
InChIInChI=1S/C20H21N5O3/c26-14-3-1-12(2-4-14)16-9-18(15-10-21-24-19(15)22-16)28-20(27)23-17-11-25-7-5-13(17)6-8-25/h1-4,9-10,13,17,26H,5-8,11H2,(H,23,27)(H,21,22,24)/t17-/m1/s1
InChIKeyIYUKGFXJGTWNMH-QGZVFWFLSA-N
MW379.42 g/mol
LogP2.51
Rot. Bonds3

About [6-(4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-4-yl] N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]carbamate

[6-(4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-4-yl] N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]carbamate (PubChem CID 137066598) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is [6-(4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-4-yl] N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]carbamate.

Molecular Properties

Compound Name[6-(4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-4-yl] N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]carbamate
PubChem CID137066598
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name[6-(4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-4-yl] N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]carbamate
SMILESO=C(N[C@@H]1CN2CCC1CC2)Oc1cc(-c2ccc(O)cc2)nc2[nH]ncc12
InChIInChI=1S/C20H21N5O3/c26-14-3-1-12(2-4-14)16-9-18(15-10-21-24-19(15)22-16)28-20(27)23-17-11-25-7-5-13(17)6-8-25/h1-4,9-10,13,17,26H,5-8,11H2,(H,23,27)(H,21,22,24)/t17-/m1/s1
InChIKeyIYUKGFXJGTWNMH-QGZVFWFLSA-N
XLogP2.51
TPSA103.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[6-(4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-4-yl] N-(1-methylpiperidin-4-yl)carbamate
CID 137066588
[6-(4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-4-yl] N-(3-aminocyclohexyl)carbamate
CID 137066597
[6-(4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-4-yl] N-methyl-N-piperidin-4-ylcarbamate
CID 137066584
[6-(4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-4-yl] N-spiro[1,2-dihydroindene-3,4'-piperidine]-1-ylcarbamate
CID 137066575
N-(1-azabicyclo[2.2.2]octan-3-yl)-6-(4-hydroxyphenyl)-3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 137153841
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-hydroxy-1H-indazole-3-carboxamide;hydrobromide
CID 67230292
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-hydroxyphenyl)-1,3-thiazole-2-carboxamide
CID 18181916
thiophen-2-yl N-(1-azabicyclo[2.2.2]octan-3-yl)carbamate
CID 69351700
(4-pyridin-3-ylthiophen-2-yl) N-(1-azabicyclo[2.2.2]octan-3-yl)carbamate
CID 69301770
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-phenyl-1H-indazole-3-carboxamide
CID 10363115
(5-phenylthiophen-2-yl) N-(1-azabicyclo[2.2.2]octan-3-yl)carbamate
CID 69301942
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-benzothiophene-5-carboxamide
CID 23529193

Frequently Asked Questions

What is the IUPAC name of [6-(4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-4-yl] N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]carbamate?
The IUPAC name of [6-(4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-4-yl] N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]carbamate (CID 137066598) is [6-(4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-4-yl] N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]carbamate.
What is the SMILES notation for [6-(4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-4-yl] N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]carbamate?
The canonical SMILES for [6-(4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-4-yl] N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]carbamate is O=C(N[C@@H]1CN2CCC1CC2)Oc1cc(-c2ccc(O)cc2)nc2[nH]ncc12.
What is the InChIKey of [6-(4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-4-yl] N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]carbamate?
The InChIKey is IYUKGFXJGTWNMH-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H21N5O3/c26-14-3-1-12(2-4-14)16-9-18(15-10-21-24-19(15)22-16)28-20(27)23-17-11-25-7-5-13(17)6-8-25/h1-4,9-10,13,17,26H,5-8,11H2,(H,23,27)(H,21,22,24)/t17-/m1/s1.
What are the key properties of [6-(4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-4-yl] N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]carbamate?
[6-(4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-4-yl] N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]carbamate has a molecular weight of 379.42 g/mol, XLogP of 2.51, 3 rotatable bonds, 3 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-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]carbamate is sourced from PubChem (CID 137066598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).