4-[4-[(3-anilinopyrrolidin-1-yl)-hydroxymethyl]-3-methyl-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol

C24H25N5O2 — CID 137127079

IUPAC4-[4-[(3-anilinopyrrolidin-1-yl)-hydroxymethyl]-3-methyl-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol
SMILESCc1[nH]nc2nc(-c3ccc(O)cc3)cc(C(O)N3CCC(Nc4ccccc4)C3)c12
InChIInChI=1S/C24H25N5O2/c1-15-22-20(13-21(26-23(22)28-27-15)16-7-9-19(30)10-8-16)24(31)29-12-11-18(14-29)25-17-5-3-2-4-6-17/h2-10,13,18,24-25,30-31H,11-12,14H2,1H3,(H,26,27,28)
InChIKeySVYDZPJYJRHKIR-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.82
Rot. Bonds5

About 4-[4-[(3-anilinopyrrolidin-1-yl)-hydroxymethyl]-3-methyl-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol

4-[4-[(3-anilinopyrrolidin-1-yl)-hydroxymethyl]-3-methyl-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol (PubChem CID 137127079) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 4-[4-[(3-anilinopyrrolidin-1-yl)-hydroxymethyl]-3-methyl-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol.

Molecular Properties

Compound Name4-[4-[(3-anilinopyrrolidin-1-yl)-hydroxymethyl]-3-methyl-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol
PubChem CID137127079
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name4-[4-[(3-anilinopyrrolidin-1-yl)-hydroxymethyl]-3-methyl-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol
SMILESCc1[nH]nc2nc(-c3ccc(O)cc3)cc(C(O)N3CCC(Nc4ccccc4)C3)c12
InChIInChI=1S/C24H25N5O2/c1-15-22-20(13-21(26-23(22)28-27-15)16-7-9-19(30)10-8-16)24(31)29-12-11-18(14-29)25-17-5-3-2-4-6-17/h2-10,13,18,24-25,30-31H,11-12,14H2,1H3,(H,26,27,28)
InChIKeySVYDZPJYJRHKIR-UHFFFAOYSA-N
XLogP3.82
TPSA97.30 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-methyl-4-[[3-(methylamino)pyrrolidin-1-yl]methyl]-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol
CID 136623258
6-(4-hydroxyphenyl)-3-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 136591877
6-(4-hydroxyphenyl)-3-methyl-N-(2-pyrrolidin-1-ylpropyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 136591871
4-[3-methyl-4-[[(2R,5S)-5-methyl-2-phenylpiperazin-1-yl]methyl]-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol
CID 136623217
6-(4-hydroxyphenyl)-3-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 136591864
[6-(4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-[(2R,5S)-5-methyl-2-phenylpiperazin-1-yl]methanone
CID 136508011
[6-(4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-[3-(2-methylpropyl)piperazin-1-yl]methanone
CID 136508146
2-(3-benzylpiperazin-1-yl)-1-[6-(4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]ethanone
CID 136622575
[6-(4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 136507887
(2-benzylpiperazin-1-yl)-[6-(4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]methanone
CID 136507830
[6-(4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-(3-methyl-3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 136507888
(2,2-dimethylpiperazin-1-yl)-[6-(4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]methanone
CID 136508078

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(3-anilinopyrrolidin-1-yl)-hydroxymethyl]-3-methyl-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol?
The IUPAC name of 4-[4-[(3-anilinopyrrolidin-1-yl)-hydroxymethyl]-3-methyl-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol (CID 137127079) is 4-[4-[(3-anilinopyrrolidin-1-yl)-hydroxymethyl]-3-methyl-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol.
What is the SMILES notation for 4-[4-[(3-anilinopyrrolidin-1-yl)-hydroxymethyl]-3-methyl-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol?
The canonical SMILES for 4-[4-[(3-anilinopyrrolidin-1-yl)-hydroxymethyl]-3-methyl-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol is Cc1[nH]nc2nc(-c3ccc(O)cc3)cc(C(O)N3CCC(Nc4ccccc4)C3)c12.
What is the InChIKey of 4-[4-[(3-anilinopyrrolidin-1-yl)-hydroxymethyl]-3-methyl-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol?
The InChIKey is SVYDZPJYJRHKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-15-22-20(13-21(26-23(22)28-27-15)16-7-9-19(30)10-8-16)24(31)29-12-11-18(14-29)25-17-5-3-2-4-6-17/h2-10,13,18,24-25,30-31H,11-12,14H2,1H3,(H,26,27,28).
What are the key properties of 4-[4-[(3-anilinopyrrolidin-1-yl)-hydroxymethyl]-3-methyl-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol?
4-[4-[(3-anilinopyrrolidin-1-yl)-hydroxymethyl]-3-methyl-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol has a molecular weight of 415.50 g/mol, XLogP of 3.82, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(3-anilinopyrrolidin-1-yl)-hydroxymethyl]-3-methyl-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol is sourced from PubChem (CID 137127079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).