2-[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-methylaniline

C20H18N4O — CID 90667363

IUPAC2-[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-methylaniline
SMILESCNc1ccccc1-c1cnc2n[nH]c(-c3ccc(OC)cc3)c2c1
InChIInChI=1S/C20H18N4O/c1-21-18-6-4-3-5-16(18)14-11-17-19(23-24-20(17)22-12-14)13-7-9-15(25-2)10-8-13/h3-12,21H,1-2H3,(H,22,23,24)
InChIKeyOQTLPDDJWNSJCI-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.34
Rot. Bonds4

About 2-[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-methylaniline

2-[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-methylaniline (PubChem CID 90667363) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-methylaniline.

Molecular Properties

Compound Name2-[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-methylaniline
PubChem CID90667363
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name2-[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-methylaniline
SMILESCNc1ccccc1-c1cnc2n[nH]c(-c3ccc(OC)cc3)c2c1
InChIInChI=1S/C20H18N4O/c1-21-18-6-4-3-5-16(18)14-11-17-19(23-24-20(17)22-12-14)13-7-9-15(25-2)10-8-13/h3-12,21H,1-2H3,(H,22,23,24)
InChIKeyOQTLPDDJWNSJCI-UHFFFAOYSA-N
XLogP4.34
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl)aniline
CID 44542531
5-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine
CID 164627590
N-benzyl-2-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl)aniline
CID 44542680
2-(4-methoxyphenyl)-N-methylaniline
CID 12555620
2-methoxy-4-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl)phenol
CID 59836112
5-(furan-3-yl)-3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine
CID 66556608
5-bromo-3-(6-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine
CID 162691620
4-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylbenzamide
CID 59836016
3-(2,3-dihydro-1H-pyrrol-2-yl)-5-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine
CID 71211399
5-fluoro-2-[3-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]aniline
CID 155516484
2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline
CID 43514779
3-(4-bromophenyl)-N-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-amine
CID 102425379

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-methylaniline?
The IUPAC name of 2-[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-methylaniline (CID 90667363) is 2-[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-methylaniline.
What is the SMILES notation for 2-[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-methylaniline?
The canonical SMILES for 2-[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-methylaniline is CNc1ccccc1-c1cnc2n[nH]c(-c3ccc(OC)cc3)c2c1.
What is the InChIKey of 2-[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-methylaniline?
The InChIKey is OQTLPDDJWNSJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-21-18-6-4-3-5-16(18)14-11-17-19(23-24-20(17)22-12-14)13-7-9-15(25-2)10-8-13/h3-12,21H,1-2H3,(H,22,23,24).
What are the key properties of 2-[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-methylaniline?
2-[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-methylaniline has a molecular weight of 330.39 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-methylaniline is sourced from PubChem (CID 90667363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).