[6-(4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-4-yl] N-(1-methylpiperidin-4-yl)carbamate

C19H21N5O3 — CID 137066588

IUPAC[6-(4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-4-yl] N-(1-methylpiperidin-4-yl)carbamate
SMILESCN1CCC(NC(=O)Oc2cc(-c3ccc(O)cc3)nc3[nH]ncc23)CC1
InChIInChI=1S/C19H21N5O3/c1-24-8-6-13(7-9-24)21-19(26)27-17-10-16(12-2-4-14(25)5-3-12)22-18-15(17)11-20-23-18/h2-5,10-11,13,25H,6-9H2,1H3,(H,21,26)(H,20,22,23)
InChIKeyKDEFJLMZHKUSBB-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.51
Rot. Bonds3

About [6-(4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-4-yl] N-(1-methylpiperidin-4-yl)carbamate

[6-(4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-4-yl] N-(1-methylpiperidin-4-yl)carbamate (PubChem CID 137066588) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is [6-(4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-4-yl] N-(1-methylpiperidin-4-yl)carbamate.

Molecular Properties

Compound Name[6-(4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-4-yl] N-(1-methylpiperidin-4-yl)carbamate
PubChem CID137066588
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name[6-(4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-4-yl] N-(1-methylpiperidin-4-yl)carbamate
SMILESCN1CCC(NC(=O)Oc2cc(-c3ccc(O)cc3)nc3[nH]ncc23)CC1
InChIInChI=1S/C19H21N5O3/c1-24-8-6-13(7-9-24)21-19(26)27-17-10-16(12-2-4-14(25)5-3-12)22-18-15(17)11-20-23-18/h2-5,10-11,13,25H,6-9H2,1H3,(H,21,26)(H,20,22,23)
InChIKeyKDEFJLMZHKUSBB-UHFFFAOYSA-N
XLogP2.51
TPSA103.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
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-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]carbamate
CID 137066598
[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
(1-phenylisoquinolin-4-yl) N-(1-methylpiperidin-4-yl)carbamate
CID 70442897
2-(4-hydroxyphenyl)-N-(1-methylpiperidin-4-yl)acetamide
CID 110463124
(2-iodo-1H-indol-4-yl) N-(1-methylpiperidin-4-yl)carbamate
CID 130337842
N-(1-methylpiperidin-4-yl)-1H-indazole-6-carboxamide
CID 62905083
N-(1-methylpiperidin-4-yl)-3-[4-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]phenyl]propanamide
CID 135372029
4-(4-chloro-1,6-naphthyridin-2-yl)-N-(1-methylpiperidin-4-yl)benzamide
CID 135372458
2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(1-methylpiperidin-4-yl)acetamide
CID 30828683
benzyl N-(1-methylpiperidin-4-yl)carbamate;hydrochloride
CID 141061173

Frequently Asked Questions

What is the IUPAC name of [6-(4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-4-yl] N-(1-methylpiperidin-4-yl)carbamate?
The IUPAC name of [6-(4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-4-yl] N-(1-methylpiperidin-4-yl)carbamate (CID 137066588) is [6-(4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-4-yl] N-(1-methylpiperidin-4-yl)carbamate.
What is the SMILES notation for [6-(4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-4-yl] N-(1-methylpiperidin-4-yl)carbamate?
The canonical SMILES for [6-(4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-4-yl] N-(1-methylpiperidin-4-yl)carbamate is CN1CCC(NC(=O)Oc2cc(-c3ccc(O)cc3)nc3[nH]ncc23)CC1.
What is the InChIKey of [6-(4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-4-yl] N-(1-methylpiperidin-4-yl)carbamate?
The InChIKey is KDEFJLMZHKUSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-24-8-6-13(7-9-24)21-19(26)27-17-10-16(12-2-4-14(25)5-3-12)22-18-15(17)11-20-23-18/h2-5,10-11,13,25H,6-9H2,1H3,(H,21,26)(H,20,22,23).
What are the key properties of [6-(4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-4-yl] N-(1-methylpiperidin-4-yl)carbamate?
[6-(4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-4-yl] N-(1-methylpiperidin-4-yl)carbamate has a molecular weight of 367.41 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-(1-methylpiperidin-4-yl)carbamate is sourced from PubChem (CID 137066588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).