6-(4-hydroxyphenyl)-3-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide

C26H27N5O2 — CID 136591877

IUPAC6-(4-hydroxyphenyl)-3-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1[nH]nc2nc(-c3ccc(O)cc3)cc(C(=O)NCC(c3ccccc3)N3CCCC3)c12
InChIInChI=1S/C26H27N5O2/c1-17-24-21(15-22(28-25(24)30-29-17)18-9-11-20(32)12-10-18)26(33)27-16-23(31-13-5-6-14-31)19-7-3-2-4-8-19/h2-4,7-12,15,23,32H,5-6,13-14,16H2,1H3,(H,27,33)(H,28,29,30)
InChIKeyMKBYNVDZDXCINL-UHFFFAOYSA-N
MW441.54 g/mol
LogP4.21
Rot. Bonds6

About 6-(4-hydroxyphenyl)-3-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide

6-(4-hydroxyphenyl)-3-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 136591877) has the molecular formula C26H27N5O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is 6-(4-hydroxyphenyl)-3-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(4-hydroxyphenyl)-3-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID136591877
Molecular FormulaC26H27N5O2
Molecular Weight441.54 g/mol
Exact Mass441.22
IUPAC Name6-(4-hydroxyphenyl)-3-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1[nH]nc2nc(-c3ccc(O)cc3)cc(C(=O)NCC(c3ccccc3)N3CCCC3)c12
InChIInChI=1S/C26H27N5O2/c1-17-24-21(15-22(28-25(24)30-29-17)18-9-11-20(32)12-10-18)26(33)27-16-23(31-13-5-6-14-31)19-7-3-2-4-8-19/h2-4,7-12,15,23,32H,5-6,13-14,16H2,1H3,(H,27,33)(H,28,29,30)
InChIKeyMKBYNVDZDXCINL-UHFFFAOYSA-N
XLogP4.21
TPSA94.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-hydroxyphenyl)-3-methyl-N-(2-pyrrolidin-1-ylpropyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 136591871
3-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide
CID 167898904
N-[2-(azepan-1-yl)-2-phenylethyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 118786582
N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35180369
2-chloro-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 17011550
N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-1H-indazole-3-carboxamide
CID 52798650
N-[2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-chlorobenzamide;hydrochloride
CID 52984776
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 24619664
N-[2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 43855019
(2,2-dimethylpiperazin-1-yl)-[6-(4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]methanone
CID 136508078
2-fluoro-N-[(2S)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 34951537
2-fluoro-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 34951546

Frequently Asked Questions

What is the IUPAC name of 6-(4-hydroxyphenyl)-3-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(4-hydroxyphenyl)-3-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide (CID 136591877) is 6-(4-hydroxyphenyl)-3-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(4-hydroxyphenyl)-3-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(4-hydroxyphenyl)-3-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide is Cc1[nH]nc2nc(-c3ccc(O)cc3)cc(C(=O)NCC(c3ccccc3)N3CCCC3)c12.
What is the InChIKey of 6-(4-hydroxyphenyl)-3-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is MKBYNVDZDXCINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2/c1-17-24-21(15-22(28-25(24)30-29-17)18-9-11-20(32)12-10-18)26(33)27-16-23(31-13-5-6-14-31)19-7-3-2-4-8-19/h2-4,7-12,15,23,32H,5-6,13-14,16H2,1H3,(H,27,33)(H,28,29,30).
What are the key properties of 6-(4-hydroxyphenyl)-3-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
6-(4-hydroxyphenyl)-3-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 441.54 g/mol, XLogP of 4.21, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-hydroxyphenyl)-3-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 136591877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).