4-[5-(3-aminopyrrolidin-1-yl)furan-2-yl]-6-(2-fluoro-4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile

C22H19FN6O2 — CID 137062033

IUPAC4-[5-(3-aminopyrrolidin-1-yl)furan-2-yl]-6-(2-fluoro-4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
SMILESCc1[nH]nc2nc(-c3ccc(O)cc3F)c(C#N)c(-c3ccc(N4CCC(N)C4)o3)c12
InChIInChI=1S/C22H19FN6O2/c1-11-19-20(17-4-5-18(31-17)29-7-6-12(25)10-29)15(9-24)21(26-22(19)28-27-11)14-3-2-13(30)8-16(14)23/h2-5,8,12,30H,6-7,10,25H2,1H3,(H,26,27,28)
InChIKeyVDRZTZWOPMIXEP-UHFFFAOYSA-N
MW418.43 g/mol
LogP3.45
Rot. Bonds3

About 4-[5-(3-aminopyrrolidin-1-yl)furan-2-yl]-6-(2-fluoro-4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile

4-[5-(3-aminopyrrolidin-1-yl)furan-2-yl]-6-(2-fluoro-4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile (PubChem CID 137062033) has the molecular formula C22H19FN6O2 and a molecular weight of 418.43 g/mol. Its IUPAC name is 4-[5-(3-aminopyrrolidin-1-yl)furan-2-yl]-6-(2-fluoro-4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name4-[5-(3-aminopyrrolidin-1-yl)furan-2-yl]-6-(2-fluoro-4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
PubChem CID137062033
Molecular FormulaC22H19FN6O2
Molecular Weight418.43 g/mol
Exact Mass418.16
IUPAC Name4-[5-(3-aminopyrrolidin-1-yl)furan-2-yl]-6-(2-fluoro-4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
SMILESCc1[nH]nc2nc(-c3ccc(O)cc3F)c(C#N)c(-c3ccc(N4CCC(N)C4)o3)c12
InChIInChI=1S/C22H19FN6O2/c1-11-19-20(17-4-5-18(31-17)29-7-6-12(25)10-29)15(9-24)21(26-22(19)28-27-11)14-3-2-13(30)8-16(14)23/h2-5,8,12,30H,6-7,10,25H2,1H3,(H,26,27,28)
InChIKeyVDRZTZWOPMIXEP-UHFFFAOYSA-N
XLogP3.45
TPSA127.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.43
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

6-(2-fluoro-4-hydroxyphenyl)-3-methyl-4-[(2S)-2-(piperidine-1-carbonyl)cyclopropyl]-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
CID 159994870
6-(4-amino-2-fluorophenyl)-3-methyl-4-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride
CID 162305514
(1S)-2-[5-cyano-6-(2-fluoro-4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-N-(cyclohexylmethyl)cyclopropane-1-carboxamide
CID 157237117
6-(2-fluoro-4-nitrophenyl)-3-methyl-4-(4-piperidin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride
CID 160983720
6-(4-hydroxy-2-methylphenyl)-3-methyl-4-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride
CID 162305633
6-(2-fluoro-4-hydroxyphenyl)-3-(4-nitrophenyl)-4-(4-piperidin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
CID 158096616
6-(2,5-difluorophenyl)-3-methyl-4-(4-piperidin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride
CID 160615693
6-(2-fluoro-4-hydroxyphenyl)-3-(4-phenylphenyl)-4-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride
CID 162312218
6-(4-methoxynaphthalen-1-yl)-3-methyl-4-(5-methylfuran-2-yl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
CID 51348970
6-(2,3-difluorophenyl)-3-methyl-4-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride
CID 160622241
6-(4-hydroxy-2-methylphenyl)-3-methyl-4-[(2S)-2-(piperazine-1-carbonyl)cyclopropyl]-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
CID 136927821
6-(2-fluoro-4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 136507825

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-aminopyrrolidin-1-yl)furan-2-yl]-6-(2-fluoro-4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
The IUPAC name of 4-[5-(3-aminopyrrolidin-1-yl)furan-2-yl]-6-(2-fluoro-4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile (CID 137062033) is 4-[5-(3-aminopyrrolidin-1-yl)furan-2-yl]-6-(2-fluoro-4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 4-[5-(3-aminopyrrolidin-1-yl)furan-2-yl]-6-(2-fluoro-4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 4-[5-(3-aminopyrrolidin-1-yl)furan-2-yl]-6-(2-fluoro-4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile is Cc1[nH]nc2nc(-c3ccc(O)cc3F)c(C#N)c(-c3ccc(N4CCC(N)C4)o3)c12.
What is the InChIKey of 4-[5-(3-aminopyrrolidin-1-yl)furan-2-yl]-6-(2-fluoro-4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
The InChIKey is VDRZTZWOPMIXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN6O2/c1-11-19-20(17-4-5-18(31-17)29-7-6-12(25)10-29)15(9-24)21(26-22(19)28-27-11)14-3-2-13(30)8-16(14)23/h2-5,8,12,30H,6-7,10,25H2,1H3,(H,26,27,28).
What are the key properties of 4-[5-(3-aminopyrrolidin-1-yl)furan-2-yl]-6-(2-fluoro-4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
4-[5-(3-aminopyrrolidin-1-yl)furan-2-yl]-6-(2-fluoro-4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile has a molecular weight of 418.43 g/mol, XLogP of 3.45, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-aminopyrrolidin-1-yl)furan-2-yl]-6-(2-fluoro-4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 137062033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).