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

C19H16N4O2 — CID 164609890

IUPAC3-[[3-(3-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]amino]phenol
SMILESCOc1cccc(-c2[nH]nc3ncc(Nc4cccc(O)c4)cc23)c1
InChIInChI=1S/C19H16N4O2/c1-25-16-7-2-4-12(8-16)18-17-10-14(11-20-19(17)23-22-18)21-13-5-3-6-15(24)9-13/h2-11,21,24H,1H3,(H,20,22,23)
InChIKeyFXZCSYXEGFNOPO-UHFFFAOYSA-N
MW332.36 g/mol
LogP4.08
Rot. Bonds4

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

3-[[3-(3-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]amino]phenol (PubChem CID 164609890) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 3-[[3-(3-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]amino]phenol.

Molecular Properties

Compound Name3-[[3-(3-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]amino]phenol
PubChem CID164609890
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name3-[[3-(3-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]amino]phenol
SMILESCOc1cccc(-c2[nH]nc3ncc(Nc4cccc(O)c4)cc23)c1
InChIInChI=1S/C19H16N4O2/c1-25-16-7-2-4-12(8-16)18-17-10-14(11-20-19(17)23-22-18)21-13-5-3-6-15(24)9-13/h2-11,21,24H,1H3,(H,20,22,23)
InChIKeyFXZCSYXEGFNOPO-UHFFFAOYSA-N
XLogP4.08
TPSA83.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

AZ-Tak1
CID 71543324
3-Methoxy-4-hydroxybenzaldehyde [1-(phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]hydrazone
CID 3805075
N-(3-methoxyphenyl)-1-methyl-6-(4-methylpiperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 16456451
Sdccggsk-0000007.P001
CID 9604943
N-(2,4-difluorophenyl)-3-(5-(3-(dimethylamino)prop-1-ynyl)-2-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 11590141
N-(2,4-difluorophenyl)-3-(2-methoxy-5-(3-(4-methylpiperazin-1-yl)prop-1-ynyl)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 11634558
N-[(4-fluorophenyl)methylideneamino]-1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 53239950
N-((5-(3-(5-methoxy-1H-benzo[d]imidazol-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl)pyridin-3-yl)methyl)ethanamine
CID 135497841
FgGpmk1-IN-1
CID 135558907
Pyrazolo[1,5-b]pyridazine deriv. 42
CID 6539384
7-[5-(3-Methoxybenzyl)-4H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol
CID 135471214
4-[(1E)-{2-[1-(3-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]hydrazin-1-ylidene}methyl]phenol
CID 90791319

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(3-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]amino]phenol?
The IUPAC name of 3-[[3-(3-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]amino]phenol (CID 164609890) is 3-[[3-(3-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]amino]phenol.
What is the SMILES notation for 3-[[3-(3-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]amino]phenol?
The canonical SMILES for 3-[[3-(3-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]amino]phenol is COc1cccc(-c2[nH]nc3ncc(Nc4cccc(O)c4)cc23)c1.
What is the InChIKey of 3-[[3-(3-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]amino]phenol?
The InChIKey is FXZCSYXEGFNOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-25-16-7-2-4-12(8-16)18-17-10-14(11-20-19(17)23-22-18)21-13-5-3-6-15(24)9-13/h2-11,21,24H,1H3,(H,20,22,23).
What are the key properties of 3-[[3-(3-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]amino]phenol?
3-[[3-(3-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]amino]phenol has a molecular weight of 332.36 g/mol, XLogP of 4.08, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(3-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]amino]phenol is sourced from PubChem (CID 164609890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).