6-(4-hydroxy-2-methylphenyl)-3-methyl-4-[(2S)-2-(piperazine-1-carbonyl)cyclopropyl]-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile

C23H24N6O2 — CID 136927821

IUPAC6-(4-hydroxy-2-methylphenyl)-3-methyl-4-[(2S)-2-(piperazine-1-carbonyl)cyclopropyl]-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
SMILESCc1cc(O)ccc1-c1nc2n[nH]c(C)c2c(C2C[C@@H]2C(=O)N2CCNCC2)c1C#N
InChIInChI=1S/C23H24N6O2/c1-12-9-14(30)3-4-15(12)21-18(11-24)20(19-13(2)27-28-22(19)26-21)16-10-17(16)23(31)29-7-5-25-6-8-29/h3-4,9,16-17,25,30H,5-8,10H2,1-2H3,(H,26,27,28)/t16?,17-/m0/s1
InChIKeySZAZYWOKXULBTD-DJNXLDHESA-N
MW416.49 g/mol
LogP2.35
Rot. Bonds3

About 6-(4-hydroxy-2-methylphenyl)-3-methyl-4-[(2S)-2-(piperazine-1-carbonyl)cyclopropyl]-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile

6-(4-hydroxy-2-methylphenyl)-3-methyl-4-[(2S)-2-(piperazine-1-carbonyl)cyclopropyl]-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile (PubChem CID 136927821) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is 6-(4-hydroxy-2-methylphenyl)-3-methyl-4-[(2S)-2-(piperazine-1-carbonyl)cyclopropyl]-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name6-(4-hydroxy-2-methylphenyl)-3-methyl-4-[(2S)-2-(piperazine-1-carbonyl)cyclopropyl]-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
PubChem CID136927821
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC Name6-(4-hydroxy-2-methylphenyl)-3-methyl-4-[(2S)-2-(piperazine-1-carbonyl)cyclopropyl]-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
SMILESCc1cc(O)ccc1-c1nc2n[nH]c(C)c2c(C2C[C@@H]2C(=O)N2CCNCC2)c1C#N
InChIInChI=1S/C23H24N6O2/c1-12-9-14(30)3-4-15(12)21-18(11-24)20(19-13(2)27-28-22(19)26-21)16-10-17(16)23(31)29-7-5-25-6-8-29/h3-4,9,16-17,25,30H,5-8,10H2,1-2H3,(H,26,27,28)/t16?,17-/m0/s1
InChIKeySZAZYWOKXULBTD-DJNXLDHESA-N
XLogP2.35
TPSA117.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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-hydroxy-2-methylphenyl)-3-methyl-4-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride
CID 162305633
(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-(4-hydroxy-2-methylphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-piperazin-1-ylmethanone
CID 136508124
[6-(4-hydroxy-2-methylphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-[(3S)-3-methylpiperazin-1-yl]methanone
CID 136508165
6-(2,5-difluorophenyl)-3-methyl-4-(4-piperidin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride
CID 160615693
3-methyl-4,6-diphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
CID 132530624
[6-(4-hydroxy-2-methoxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-(2-methylpiperazin-1-yl)methanone
CID 136507844
6-(2-fluoro-4-nitrophenyl)-3-methyl-4-(4-piperidin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride
CID 160983720
1,4-diazepan-1-yl-[2-(2-methylphenyl)cyclopropyl]methanone
CID 119417577
[(1S,2S)-2-phenylcyclopropyl]-piperazin-1-ylmethanone
CID 51893718
[(1R,2S)-2-(4-bromophenyl)cyclopropyl]-piperazin-1-ylmethanone
CID 51893754

Frequently Asked Questions

What is the IUPAC name of 6-(4-hydroxy-2-methylphenyl)-3-methyl-4-[(2S)-2-(piperazine-1-carbonyl)cyclopropyl]-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
The IUPAC name of 6-(4-hydroxy-2-methylphenyl)-3-methyl-4-[(2S)-2-(piperazine-1-carbonyl)cyclopropyl]-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile (CID 136927821) is 6-(4-hydroxy-2-methylphenyl)-3-methyl-4-[(2S)-2-(piperazine-1-carbonyl)cyclopropyl]-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 6-(4-hydroxy-2-methylphenyl)-3-methyl-4-[(2S)-2-(piperazine-1-carbonyl)cyclopropyl]-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 6-(4-hydroxy-2-methylphenyl)-3-methyl-4-[(2S)-2-(piperazine-1-carbonyl)cyclopropyl]-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile is Cc1cc(O)ccc1-c1nc2n[nH]c(C)c2c(C2C[C@@H]2C(=O)N2CCNCC2)c1C#N.
What is the InChIKey of 6-(4-hydroxy-2-methylphenyl)-3-methyl-4-[(2S)-2-(piperazine-1-carbonyl)cyclopropyl]-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
The InChIKey is SZAZYWOKXULBTD-DJNXLDHESA-N. The full InChI is InChI=1S/C23H24N6O2/c1-12-9-14(30)3-4-15(12)21-18(11-24)20(19-13(2)27-28-22(19)26-21)16-10-17(16)23(31)29-7-5-25-6-8-29/h3-4,9,16-17,25,30H,5-8,10H2,1-2H3,(H,26,27,28)/t16?,17-/m0/s1.
What are the key properties of 6-(4-hydroxy-2-methylphenyl)-3-methyl-4-[(2S)-2-(piperazine-1-carbonyl)cyclopropyl]-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
6-(4-hydroxy-2-methylphenyl)-3-methyl-4-[(2S)-2-(piperazine-1-carbonyl)cyclopropyl]-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile has a molecular weight of 416.49 g/mol, XLogP of 2.35, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-hydroxy-2-methylphenyl)-3-methyl-4-[(2S)-2-(piperazine-1-carbonyl)cyclopropyl]-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 136927821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).