7-[[1-[[3-(2,3-dihydro-1H-isoindol-4-yloxy)phenyl]methyl]pyrazol-3-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine

C24H22N8O — CID 126649682

IUPAC7-[[1-[[3-(2,3-dihydro-1H-isoindol-4-yloxy)phenyl]methyl]pyrazol-3-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(Cc2ccn(Cc3cccc(Oc4cccc5c4CNC5)c3)n2)c2n[nH]nc2n1
InChIInChI=1S/C24H22N8O/c25-22-11-17(23-24(27-22)29-31-28-23)10-18-7-8-32(30-18)14-15-3-1-5-19(9-15)33-21-6-2-4-16-12-26-13-20(16)21/h1-9,11,26H,10,12-14H2,(H3,25,27,28,29,31)
InChIKeyHJQUGIXWUNPAOH-UHFFFAOYSA-N
MW438.50 g/mol
LogP3.17
Rot. Bonds6

About 7-[[1-[[3-(2,3-dihydro-1H-isoindol-4-yloxy)phenyl]methyl]pyrazol-3-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine

7-[[1-[[3-(2,3-dihydro-1H-isoindol-4-yloxy)phenyl]methyl]pyrazol-3-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 126649682) has the molecular formula C24H22N8O and a molecular weight of 438.50 g/mol. Its IUPAC name is 7-[[1-[[3-(2,3-dihydro-1H-isoindol-4-yloxy)phenyl]methyl]pyrazol-3-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[[1-[[3-(2,3-dihydro-1H-isoindol-4-yloxy)phenyl]methyl]pyrazol-3-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID126649682
Molecular FormulaC24H22N8O
Molecular Weight438.50 g/mol
Exact Mass438.19
IUPAC Name7-[[1-[[3-(2,3-dihydro-1H-isoindol-4-yloxy)phenyl]methyl]pyrazol-3-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(Cc2ccn(Cc3cccc(Oc4cccc5c4CNC5)c3)n2)c2n[nH]nc2n1
InChIInChI=1S/C24H22N8O/c25-22-11-17(23-24(27-22)29-31-28-23)10-18-7-8-32(30-18)14-15-3-1-5-19(9-15)33-21-6-2-4-16-12-26-13-20(16)21/h1-9,11,26H,10,12-14H2,(H3,25,27,28,29,31)
InChIKeyHJQUGIXWUNPAOH-UHFFFAOYSA-N
XLogP3.17
TPSA119.56 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.50
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 7-[[1-[[3-(2,3-dihydro-1H-isoindol-4-yloxy)phenyl]methyl]pyrazol-3-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[[1-[[3-(2,3-dihydro-1H-isoindol-4-yloxy)phenyl]methyl]pyrazol-3-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[[1-[[3-(2,3-dihydro-1H-isoindol-4-yloxy)phenyl]methyl]pyrazol-3-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine (CID 126649682) is 7-[[1-[[3-(2,3-dihydro-1H-isoindol-4-yloxy)phenyl]methyl]pyrazol-3-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[[1-[[3-(2,3-dihydro-1H-isoindol-4-yloxy)phenyl]methyl]pyrazol-3-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[[1-[[3-(2,3-dihydro-1H-isoindol-4-yloxy)phenyl]methyl]pyrazol-3-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine is Nc1cc(Cc2ccn(Cc3cccc(Oc4cccc5c4CNC5)c3)n2)c2n[nH]nc2n1.
What is the InChIKey of 7-[[1-[[3-(2,3-dihydro-1H-isoindol-4-yloxy)phenyl]methyl]pyrazol-3-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is HJQUGIXWUNPAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N8O/c25-22-11-17(23-24(27-22)29-31-28-23)10-18-7-8-32(30-18)14-15-3-1-5-19(9-15)33-21-6-2-4-16-12-26-13-20(16)21/h1-9,11,26H,10,12-14H2,(H3,25,27,28,29,31).
What are the key properties of 7-[[1-[[3-(2,3-dihydro-1H-isoindol-4-yloxy)phenyl]methyl]pyrazol-3-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[[1-[[3-(2,3-dihydro-1H-isoindol-4-yloxy)phenyl]methyl]pyrazol-3-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 438.50 g/mol, XLogP of 3.17, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[1-[[3-(2,3-dihydro-1H-isoindol-4-yloxy)phenyl]methyl]pyrazol-3-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 126649682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).