2-hydroxy-2-[3-[1-(hydroxymethyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]acetic acid

C22H19N3O5 — CID 59825038

IUPAC2-hydroxy-2-[3-[1-(hydroxymethyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]acetic acid
SMILESCOc1ccccc1-c1nn(CO)c2ncc(-c3cccc(C(O)C(=O)O)c3)cc12
InChIInChI=1S/C22H19N3O5/c1-30-18-8-3-2-7-16(18)19-17-10-15(11-23-21(17)25(12-26)24-19)13-5-4-6-14(9-13)20(27)22(28)29/h2-11,20,26-27H,12H2,1H3,(H,28,29)
InChIKeyRBYBAZMVVNBCLU-UHFFFAOYSA-N
MW405.41 g/mol
LogP2.84
Rot. Bonds6

About 2-hydroxy-2-[3-[1-(hydroxymethyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]acetic acid

2-hydroxy-2-[3-[1-(hydroxymethyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]acetic acid (PubChem CID 59825038) has the molecular formula C22H19N3O5 and a molecular weight of 405.41 g/mol. Its IUPAC name is 2-hydroxy-2-[3-[1-(hydroxymethyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]acetic acid.

Molecular Properties

Compound Name2-hydroxy-2-[3-[1-(hydroxymethyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]acetic acid
PubChem CID59825038
Molecular FormulaC22H19N3O5
Molecular Weight405.41 g/mol
Exact Mass405.13
IUPAC Name2-hydroxy-2-[3-[1-(hydroxymethyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]acetic acid
SMILESCOc1ccccc1-c1nn(CO)c2ncc(-c3cccc(C(O)C(=O)O)c3)cc12
InChIInChI=1S/C22H19N3O5/c1-30-18-8-3-2-7-16(18)19-17-10-15(11-23-21(17)25(12-26)24-19)13-5-4-6-14(9-13)20(27)22(28)29/h2-11,20,26-27H,12H2,1H3,(H,28,29)
InChIKeyRBYBAZMVVNBCLU-UHFFFAOYSA-N
XLogP2.84
TPSA117.70 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.41
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-[3-[1-(hydroxymethyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]acetic acid?
The IUPAC name of 2-hydroxy-2-[3-[1-(hydroxymethyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]acetic acid (CID 59825038) is 2-hydroxy-2-[3-[1-(hydroxymethyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]acetic acid.
What is the SMILES notation for 2-hydroxy-2-[3-[1-(hydroxymethyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]acetic acid?
The canonical SMILES for 2-hydroxy-2-[3-[1-(hydroxymethyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]acetic acid is COc1ccccc1-c1nn(CO)c2ncc(-c3cccc(C(O)C(=O)O)c3)cc12.
What is the InChIKey of 2-hydroxy-2-[3-[1-(hydroxymethyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]acetic acid?
The InChIKey is RBYBAZMVVNBCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O5/c1-30-18-8-3-2-7-16(18)19-17-10-15(11-23-21(17)25(12-26)24-19)13-5-4-6-14(9-13)20(27)22(28)29/h2-11,20,26-27H,12H2,1H3,(H,28,29).
What are the key properties of 2-hydroxy-2-[3-[1-(hydroxymethyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]acetic acid?
2-hydroxy-2-[3-[1-(hydroxymethyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]acetic acid has a molecular weight of 405.41 g/mol, XLogP of 2.84, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-[3-[1-(hydroxymethyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]acetic acid is sourced from PubChem (CID 59825038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).