6-[[2-(2,6-difluorophenyl)-5-hydroxy-6H-pyrrolo[3,4-b]pyridin-4-yl]amino]-N-propan-2-ylpyridine-3-carboxamide

C22H19F2N5O2 — CID 137031491

IUPAC6-[[2-(2,6-difluorophenyl)-5-hydroxy-6H-pyrrolo[3,4-b]pyridin-4-yl]amino]-N-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)NC(=O)c1ccc(Nc2cc(-c3c(F)cccc3F)nc3c[nH]c(O)c23)nc1
InChIInChI=1S/C22H19F2N5O2/c1-11(2)27-21(30)12-6-7-18(25-9-12)29-16-8-15(19-13(23)4-3-5-14(19)24)28-17-10-26-22(31)20(16)17/h3-11,26,31H,1-2H3,(H,25,29)(H,27,30)
InChIKeyQEHHAMOOKOBLBJ-UHFFFAOYSA-N
MW423.42 g/mol
LogP4.49
Rot. Bonds5

About 6-[[2-(2,6-difluorophenyl)-5-hydroxy-6H-pyrrolo[3,4-b]pyridin-4-yl]amino]-N-propan-2-ylpyridine-3-carboxamide

6-[[2-(2,6-difluorophenyl)-5-hydroxy-6H-pyrrolo[3,4-b]pyridin-4-yl]amino]-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 137031491) has the molecular formula C22H19F2N5O2 and a molecular weight of 423.42 g/mol. Its IUPAC name is 6-[[2-(2,6-difluorophenyl)-5-hydroxy-6H-pyrrolo[3,4-b]pyridin-4-yl]amino]-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[2-(2,6-difluorophenyl)-5-hydroxy-6H-pyrrolo[3,4-b]pyridin-4-yl]amino]-N-propan-2-ylpyridine-3-carboxamide
PubChem CID137031491
Molecular FormulaC22H19F2N5O2
Molecular Weight423.42 g/mol
Exact Mass423.15
IUPAC Name6-[[2-(2,6-difluorophenyl)-5-hydroxy-6H-pyrrolo[3,4-b]pyridin-4-yl]amino]-N-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)NC(=O)c1ccc(Nc2cc(-c3c(F)cccc3F)nc3c[nH]c(O)c23)nc1
InChIInChI=1S/C22H19F2N5O2/c1-11(2)27-21(30)12-6-7-18(25-9-12)29-16-8-15(19-13(23)4-3-5-14(19)24)28-17-10-26-22(31)20(16)17/h3-11,26,31H,1-2H3,(H,25,29)(H,27,30)
InChIKeyQEHHAMOOKOBLBJ-UHFFFAOYSA-N
XLogP4.49
TPSA102.93 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.42
LogP ≤ 54.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 6-[[2-(2,6-difluorophenyl)-5-hydroxy-6H-pyrrolo[3,4-b]pyridin-4-yl]amino]-N-propan-2-ylpyridine-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(2,6-difluorophenyl)-5-hydroxy-6H-pyrrolo[3,4-b]pyridin-4-yl]amino]-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 6-[[2-(2,6-difluorophenyl)-5-hydroxy-6H-pyrrolo[3,4-b]pyridin-4-yl]amino]-N-propan-2-ylpyridine-3-carboxamide (CID 137031491) is 6-[[2-(2,6-difluorophenyl)-5-hydroxy-6H-pyrrolo[3,4-b]pyridin-4-yl]amino]-N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 6-[[2-(2,6-difluorophenyl)-5-hydroxy-6H-pyrrolo[3,4-b]pyridin-4-yl]amino]-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 6-[[2-(2,6-difluorophenyl)-5-hydroxy-6H-pyrrolo[3,4-b]pyridin-4-yl]amino]-N-propan-2-ylpyridine-3-carboxamide is CC(C)NC(=O)c1ccc(Nc2cc(-c3c(F)cccc3F)nc3c[nH]c(O)c23)nc1.
What is the InChIKey of 6-[[2-(2,6-difluorophenyl)-5-hydroxy-6H-pyrrolo[3,4-b]pyridin-4-yl]amino]-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is QEHHAMOOKOBLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N5O2/c1-11(2)27-21(30)12-6-7-18(25-9-12)29-16-8-15(19-13(23)4-3-5-14(19)24)28-17-10-26-22(31)20(16)17/h3-11,26,31H,1-2H3,(H,25,29)(H,27,30).
What are the key properties of 6-[[2-(2,6-difluorophenyl)-5-hydroxy-6H-pyrrolo[3,4-b]pyridin-4-yl]amino]-N-propan-2-ylpyridine-3-carboxamide?
6-[[2-(2,6-difluorophenyl)-5-hydroxy-6H-pyrrolo[3,4-b]pyridin-4-yl]amino]-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 423.42 g/mol, XLogP of 4.49, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(2,6-difluorophenyl)-5-hydroxy-6H-pyrrolo[3,4-b]pyridin-4-yl]amino]-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 137031491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).