[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanimine

C24H23N5O2 — CID 59836139

IUPAC[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanimine
SMILES[H]/N=C(/c1cccc(-c2cnc3n[nH]c(-c4ccccc4OC)c3c2)c1)N1CCOCC1
InChIInChI=1S/C24H23N5O2/c1-30-21-8-3-2-7-19(21)22-20-14-18(15-26-24(20)28-27-22)16-5-4-6-17(13-16)23(25)29-9-11-31-12-10-29/h2-8,13-15,25H,9-12H2,1H3,(H,26,27,28)/b25-23-
InChIKeyJHHIEPGYTLKIDI-BZZOAKBMSA-N
MW413.48 g/mol
LogP3.96
Rot. Bonds4

About [3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanimine

[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanimine (PubChem CID 59836139) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is [3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanimine.

Molecular Properties

Compound Name[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanimine
PubChem CID59836139
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Name[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanimine
SMILES[H]/N=C(/c1cccc(-c2cnc3n[nH]c(-c4ccccc4OC)c3c2)c1)N1CCOCC1
InChIInChI=1S/C24H23N5O2/c1-30-21-8-3-2-7-19(21)22-20-14-18(15-26-24(20)28-27-22)16-5-4-6-17(13-16)23(25)29-9-11-31-12-10-29/h2-8,13-15,25H,9-12H2,1H3,(H,26,27,28)/b25-23-
InChIKeyJHHIEPGYTLKIDI-BZZOAKBMSA-N
XLogP3.96
TPSA87.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanimine?
The IUPAC name of [3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanimine (CID 59836139) is [3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanimine.
What is the SMILES notation for [3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanimine?
The canonical SMILES for [3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanimine is [H]/N=C(/c1cccc(-c2cnc3n[nH]c(-c4ccccc4OC)c3c2)c1)N1CCOCC1.
What is the InChIKey of [3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanimine?
The InChIKey is JHHIEPGYTLKIDI-BZZOAKBMSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-30-21-8-3-2-7-19(21)22-20-14-18(15-26-24(20)28-27-22)16-5-4-6-17(13-16)23(25)29-9-11-31-12-10-29/h2-8,13-15,25H,9-12H2,1H3,(H,26,27,28)/b25-23-.
What are the key properties of [3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanimine?
[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanimine has a molecular weight of 413.48 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanimine is sourced from PubChem (CID 59836139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).