[6-(4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-4-yl] N-(3-aminocyclohexyl)carbamate

C19H21N5O3 — CID 137066597

IUPAC[6-(4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-4-yl] N-(3-aminocyclohexyl)carbamate
SMILESNC1CCCC(NC(=O)Oc2cc(-c3ccc(O)cc3)nc3[nH]ncc23)C1
InChIInChI=1S/C19H21N5O3/c20-12-2-1-3-13(8-12)22-19(26)27-17-9-16(11-4-6-14(25)7-5-11)23-18-15(17)10-21-24-18/h4-7,9-10,12-13,25H,1-3,8,20H2,(H,22,26)(H,21,23,24)
InChIKeyNTAOUNAXJZXPCA-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.69
Rot. Bonds3

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

[6-(4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-4-yl] N-(3-aminocyclohexyl)carbamate (PubChem CID 137066597) 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-(3-aminocyclohexyl)carbamate.

Molecular Properties

Compound Name[6-(4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-4-yl] N-(3-aminocyclohexyl)carbamate
PubChem CID137066597
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name[6-(4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-4-yl] N-(3-aminocyclohexyl)carbamate
SMILESNC1CCCC(NC(=O)Oc2cc(-c3ccc(O)cc3)nc3[nH]ncc23)C1
InChIInChI=1S/C19H21N5O3/c20-12-2-1-3-13(8-12)22-19(26)27-17-9-16(11-4-6-14(25)7-5-11)23-18-15(17)10-21-24-18/h4-7,9-10,12-13,25H,1-3,8,20H2,(H,22,26)(H,21,23,24)
InChIKeyNTAOUNAXJZXPCA-UHFFFAOYSA-N
XLogP2.69
TPSA126.15 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze [6-(4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-4-yl] N-(3-aminocyclohexyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [6-(4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-4-yl] N-(3-aminocyclohexyl)carbamate?
The IUPAC name of [6-(4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-4-yl] N-(3-aminocyclohexyl)carbamate (CID 137066597) is [6-(4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-4-yl] N-(3-aminocyclohexyl)carbamate.
What is the SMILES notation for [6-(4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-4-yl] N-(3-aminocyclohexyl)carbamate?
The canonical SMILES for [6-(4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-4-yl] N-(3-aminocyclohexyl)carbamate is NC1CCCC(NC(=O)Oc2cc(-c3ccc(O)cc3)nc3[nH]ncc23)C1.
What is the InChIKey of [6-(4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-4-yl] N-(3-aminocyclohexyl)carbamate?
The InChIKey is NTAOUNAXJZXPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c20-12-2-1-3-13(8-12)22-19(26)27-17-9-16(11-4-6-14(25)7-5-11)23-18-15(17)10-21-24-18/h4-7,9-10,12-13,25H,1-3,8,20H2,(H,22,26)(H,21,23,24).
What are the key properties of [6-(4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-4-yl] N-(3-aminocyclohexyl)carbamate?
[6-(4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-4-yl] N-(3-aminocyclohexyl)carbamate has a molecular weight of 367.41 g/mol, XLogP of 2.69, 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-(3-aminocyclohexyl)carbamate is sourced from PubChem (CID 137066597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).