2-hydroxy-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-methyl-N-pyrrolidin-3-ylacetamide

C26H27N5O3 — CID 145491688

IUPAC2-hydroxy-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-methyl-N-pyrrolidin-3-ylacetamide
SMILESCOc1ccccc1-c1[nH]nc2ncc(-c3cccc(C(O)C(=O)N(C)C4CCNC4)c3)cc12
InChIInChI=1S/C26H27N5O3/c1-31(19-10-11-27-15-19)26(33)24(32)17-7-5-6-16(12-17)18-13-21-23(29-30-25(21)28-14-18)20-8-3-4-9-22(20)34-2/h3-9,12-14,19,24,27,32H,10-11,15H2,1-2H3,(H,28,29,30)
InChIKeyTYZVYKUYOJGIRV-UHFFFAOYSA-N
MW457.53 g/mol
LogP3.15
Rot. Bonds6

About 2-hydroxy-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-methyl-N-pyrrolidin-3-ylacetamide

2-hydroxy-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-methyl-N-pyrrolidin-3-ylacetamide (PubChem CID 145491688) has the molecular formula C26H27N5O3 and a molecular weight of 457.53 g/mol. Its IUPAC name is 2-hydroxy-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-methyl-N-pyrrolidin-3-ylacetamide.

Molecular Properties

Compound Name2-hydroxy-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-methyl-N-pyrrolidin-3-ylacetamide
PubChem CID145491688
Molecular FormulaC26H27N5O3
Molecular Weight457.53 g/mol
Exact Mass457.21
IUPAC Name2-hydroxy-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-methyl-N-pyrrolidin-3-ylacetamide
SMILESCOc1ccccc1-c1[nH]nc2ncc(-c3cccc(C(O)C(=O)N(C)C4CCNC4)c3)cc12
InChIInChI=1S/C26H27N5O3/c1-31(19-10-11-27-15-19)26(33)24(32)17-7-5-6-16(12-17)18-13-21-23(29-30-25(21)28-14-18)20-8-3-4-9-22(20)34-2/h3-9,12-14,19,24,27,32H,10-11,15H2,1-2H3,(H,28,29,30)
InChIKeyTYZVYKUYOJGIRV-UHFFFAOYSA-N
XLogP3.15
TPSA103.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-methyl-N-pyrrolidin-3-ylacetamide?
The IUPAC name of 2-hydroxy-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-methyl-N-pyrrolidin-3-ylacetamide (CID 145491688) is 2-hydroxy-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-methyl-N-pyrrolidin-3-ylacetamide.
What is the SMILES notation for 2-hydroxy-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-methyl-N-pyrrolidin-3-ylacetamide?
The canonical SMILES for 2-hydroxy-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-methyl-N-pyrrolidin-3-ylacetamide is COc1ccccc1-c1[nH]nc2ncc(-c3cccc(C(O)C(=O)N(C)C4CCNC4)c3)cc12.
What is the InChIKey of 2-hydroxy-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-methyl-N-pyrrolidin-3-ylacetamide?
The InChIKey is TYZVYKUYOJGIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O3/c1-31(19-10-11-27-15-19)26(33)24(32)17-7-5-6-16(12-17)18-13-21-23(29-30-25(21)28-14-18)20-8-3-4-9-22(20)34-2/h3-9,12-14,19,24,27,32H,10-11,15H2,1-2H3,(H,28,29,30).
What are the key properties of 2-hydroxy-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-methyl-N-pyrrolidin-3-ylacetamide?
2-hydroxy-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-methyl-N-pyrrolidin-3-ylacetamide has a molecular weight of 457.53 g/mol, XLogP of 3.15, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-methyl-N-pyrrolidin-3-ylacetamide is sourced from PubChem (CID 145491688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).