2-[6-[[2-(2,6-difluorophenyl)-5-hydroxy-6H-pyrrolo[3,4-b]pyridin-4-yl]amino]-3-pyridinyl]acetic acid

C20H14F2N4O3 — CID 137037285

IUPAC2-[6-[[2-(2,6-difluorophenyl)-5-hydroxy-6H-pyrrolo[3,4-b]pyridin-4-yl]amino]-3-pyridinyl]acetic acid
SMILESO=C(O)Cc1ccc(Nc2cc(-c3c(F)cccc3F)nc3c[nH]c(O)c23)nc1
InChIInChI=1S/C20H14F2N4O3/c21-11-2-1-3-12(22)18(11)13-7-14(19-15(25-13)9-24-20(19)29)26-16-5-4-10(8-23-16)6-17(27)28/h1-5,7-9,24,29H,6H2,(H,23,26)(H,27,28)
InChIKeyXBSLHUUPINVNEJ-UHFFFAOYSA-N
MW396.35 g/mol
LogP3.98
Rot. Bonds5

About 2-[6-[[2-(2,6-difluorophenyl)-5-hydroxy-6H-pyrrolo[3,4-b]pyridin-4-yl]amino]-3-pyridinyl]acetic acid

2-[6-[[2-(2,6-difluorophenyl)-5-hydroxy-6H-pyrrolo[3,4-b]pyridin-4-yl]amino]-3-pyridinyl]acetic acid (PubChem CID 137037285) has the molecular formula C20H14F2N4O3 and a molecular weight of 396.35 g/mol. Its IUPAC name is 2-[6-[[2-(2,6-difluorophenyl)-5-hydroxy-6H-pyrrolo[3,4-b]pyridin-4-yl]amino]-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[6-[[2-(2,6-difluorophenyl)-5-hydroxy-6H-pyrrolo[3,4-b]pyridin-4-yl]amino]-3-pyridinyl]acetic acid
PubChem CID137037285
Molecular FormulaC20H14F2N4O3
Molecular Weight396.35 g/mol
Exact Mass396.10
IUPAC Name2-[6-[[2-(2,6-difluorophenyl)-5-hydroxy-6H-pyrrolo[3,4-b]pyridin-4-yl]amino]-3-pyridinyl]acetic acid
SMILESO=C(O)Cc1ccc(Nc2cc(-c3c(F)cccc3F)nc3c[nH]c(O)c23)nc1
InChIInChI=1S/C20H14F2N4O3/c21-11-2-1-3-12(22)18(11)13-7-14(19-15(25-13)9-24-20(19)29)26-16-5-4-10(8-23-16)6-17(27)28/h1-5,7-9,24,29H,6H2,(H,23,26)(H,27,28)
InChIKeyXBSLHUUPINVNEJ-UHFFFAOYSA-N
XLogP3.98
TPSA111.13 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.35
LogP ≤ 53.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-[6-[[2-(2,6-difluorophenyl)-5-hydroxy-6H-pyrrolo[3,4-b]pyridin-4-yl]amino]-3-pyridinyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]amino]-2-(2,6-difluorophenyl)-6H-pyrrolo[3,4-b]pyridin-5-ol
CID 137047813
4-[[5-(4-tert-butylpiperazin-1-yl)-2-pyridinyl]amino]-2-(2,6-difluorophenyl)-6H-pyrrolo[3,4-b]pyridin-5-ol
CID 137160920
4-[6-[[2-(2,6-difluorophenyl)-5-hydroxy-6H-pyrrolo[3,4-b]pyridin-4-yl]amino]-3-pyridinyl]-2,2-dimethylmorpholin-3-one
CID 137060956
2-(2,6-difluorophenyl)-4-[[5-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-2-pyridinyl]amino]-6H-pyrrolo[3,4-b]pyridin-5-ol
CID 137152798
2-(2,6-difluorophenyl)-4-[[5-(methylsulfonylmethyl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one
CID 164882801
4-amino-2-(2,6-difluorophenyl)-6H-pyrrolo[3,4-b]pyridin-5-ol
CID 137083284
[4-[[2-(2,6-difluorophenyl)-5-hydroxy-6H-pyrrolo[3,4-b]pyridin-4-yl]amino]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 137156252
2-[6-(2,6-dichloroanilino)-3-pyridinyl]acetic acid
CID 129452468
6-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]amino]-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 118341436
2-(2-fluoro-6-methoxyphenyl)-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one
CID 164883062
2-(2-chloro-6-fluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[5-(ethylaminomethyl)-2-pyridinyl]amino]pyrrolo[3,4-b]pyridin-5-ol
CID 137047573
2-(2,6-difluorophenyl)-4-[[5-(2-oxopropyl)-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 159404659

Frequently Asked Questions

What is the IUPAC name of 2-[6-[[2-(2,6-difluorophenyl)-5-hydroxy-6H-pyrrolo[3,4-b]pyridin-4-yl]amino]-3-pyridinyl]acetic acid?
The IUPAC name of 2-[6-[[2-(2,6-difluorophenyl)-5-hydroxy-6H-pyrrolo[3,4-b]pyridin-4-yl]amino]-3-pyridinyl]acetic acid (CID 137037285) is 2-[6-[[2-(2,6-difluorophenyl)-5-hydroxy-6H-pyrrolo[3,4-b]pyridin-4-yl]amino]-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[6-[[2-(2,6-difluorophenyl)-5-hydroxy-6H-pyrrolo[3,4-b]pyridin-4-yl]amino]-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[6-[[2-(2,6-difluorophenyl)-5-hydroxy-6H-pyrrolo[3,4-b]pyridin-4-yl]amino]-3-pyridinyl]acetic acid is O=C(O)Cc1ccc(Nc2cc(-c3c(F)cccc3F)nc3c[nH]c(O)c23)nc1.
What is the InChIKey of 2-[6-[[2-(2,6-difluorophenyl)-5-hydroxy-6H-pyrrolo[3,4-b]pyridin-4-yl]amino]-3-pyridinyl]acetic acid?
The InChIKey is XBSLHUUPINVNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N4O3/c21-11-2-1-3-12(22)18(11)13-7-14(19-15(25-13)9-24-20(19)29)26-16-5-4-10(8-23-16)6-17(27)28/h1-5,7-9,24,29H,6H2,(H,23,26)(H,27,28).
What are the key properties of 2-[6-[[2-(2,6-difluorophenyl)-5-hydroxy-6H-pyrrolo[3,4-b]pyridin-4-yl]amino]-3-pyridinyl]acetic acid?
2-[6-[[2-(2,6-difluorophenyl)-5-hydroxy-6H-pyrrolo[3,4-b]pyridin-4-yl]amino]-3-pyridinyl]acetic acid has a molecular weight of 396.35 g/mol, XLogP of 3.98, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[2-(2,6-difluorophenyl)-5-hydroxy-6H-pyrrolo[3,4-b]pyridin-4-yl]amino]-3-pyridinyl]acetic acid is sourced from PubChem (CID 137037285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).