2-[4-[[2-(2,6-difluorophenyl)-5-hydroxy-6H-pyrrolo[3,4-d]pyrimidin-4-yl]amino]pyrazol-1-yl]-N-(1-hydroxypropan-2-yl)acetamide

C20H19F2N7O3 — CID 137095135

IUPAC2-[4-[[2-(2,6-difluorophenyl)-5-hydroxy-6H-pyrrolo[3,4-d]pyrimidin-4-yl]amino]pyrazol-1-yl]-N-(1-hydroxypropan-2-yl)acetamide
SMILESCC(CO)NC(=O)Cn1cc(Nc2nc(-c3c(F)cccc3F)nc3c[nH]c(O)c23)cn1
InChIInChI=1S/C20H19F2N7O3/c1-10(9-30)25-15(31)8-29-7-11(5-24-29)26-19-17-14(6-23-20(17)32)27-18(28-19)16-12(21)3-2-4-13(16)22/h2-7,10,23,30,32H,8-9H2,1H3,(H,25,31)(H,26,27,28)
InChIKeyZMNJERIKJAWSMZ-UHFFFAOYSA-N
MW443.41 g/mol
LogP2.05
Rot. Bonds7

About 2-[4-[[2-(2,6-difluorophenyl)-5-hydroxy-6H-pyrrolo[3,4-d]pyrimidin-4-yl]amino]pyrazol-1-yl]-N-(1-hydroxypropan-2-yl)acetamide

2-[4-[[2-(2,6-difluorophenyl)-5-hydroxy-6H-pyrrolo[3,4-d]pyrimidin-4-yl]amino]pyrazol-1-yl]-N-(1-hydroxypropan-2-yl)acetamide (PubChem CID 137095135) has the molecular formula C20H19F2N7O3 and a molecular weight of 443.41 g/mol. Its IUPAC name is 2-[4-[[2-(2,6-difluorophenyl)-5-hydroxy-6H-pyrrolo[3,4-d]pyrimidin-4-yl]amino]pyrazol-1-yl]-N-(1-hydroxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-[[2-(2,6-difluorophenyl)-5-hydroxy-6H-pyrrolo[3,4-d]pyrimidin-4-yl]amino]pyrazol-1-yl]-N-(1-hydroxypropan-2-yl)acetamide
PubChem CID137095135
Molecular FormulaC20H19F2N7O3
Molecular Weight443.41 g/mol
Exact Mass443.15
IUPAC Name2-[4-[[2-(2,6-difluorophenyl)-5-hydroxy-6H-pyrrolo[3,4-d]pyrimidin-4-yl]amino]pyrazol-1-yl]-N-(1-hydroxypropan-2-yl)acetamide
SMILESCC(CO)NC(=O)Cn1cc(Nc2nc(-c3c(F)cccc3F)nc3c[nH]c(O)c23)cn1
InChIInChI=1S/C20H19F2N7O3/c1-10(9-30)25-15(31)8-29-7-11(5-24-29)26-19-17-14(6-23-20(17)32)27-18(28-19)16-12(21)3-2-4-13(16)22/h2-7,10,23,30,32H,8-9H2,1H3,(H,25,31)(H,26,27,28)
InChIKeyZMNJERIKJAWSMZ-UHFFFAOYSA-N
XLogP2.05
TPSA140.98 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.41
LogP ≤ 52.05
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze 2-[4-[[2-(2,6-difluorophenyl)-5-hydroxy-6H-pyrrolo[3,4-d]pyrimidin-4-yl]amino]pyrazol-1-yl]-N-(1-hydroxypropan-2-yl)acetamide with MolForge

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Related Compounds

N-[2-[2-[difluoro-(4-fluorophenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-6-yl]-2-hydroxyethyl]acetamide
CID 45107713
N-(2,3-difluorophenyl)-2-[4-[8-[(2-hydroxy-2-pyridin-4-ylethyl)amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide
CID 59503685
N-(2,3-difluorophenyl)-2-[4-[8-[(2-hydroxy-1-pyridin-3-ylethyl)amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide
CID 59503826
N-(2,3-difluorophenyl)-2-[4-[8-[(2-hydroxy-2-pyridin-2-ylethyl)amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide
CID 59503858
N-(2,3-difluorophenyl)-2-[4-[8-[(2-hydroxy-2-pyridin-3-ylethyl)amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide
CID 59503890
2-[1-[(2-Fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6-(hydroxymethyl)-7,9-dihydropurin-8-one
CID 66614260
N-(3-fluoro-2-methylphenyl)-2-[4-[8-[(2-hydroxy-1-pyridin-3-ylethyl)amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide
CID 70970733
N-(3-fluoro-2-methylphenyl)-2-[4-[8-[(2-hydroxy-2-pyridin-2-ylethyl)amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide
CID 71033607
4-[2-[[4-Amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-2-one
CID 90345336
1-[4-[4-[[1-(4-Fluorophenyl)pyrazol-4-yl]methyl-methylamino]-7-hydroxy-6-propan-2-ylpyrrolo[3,4-d]pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 91529190
1-[4-[4-[1-[1-(2-Fluorophenyl)pyrazol-4-yl]ethylamino]-7-hydroxy-6-propan-2-ylpyrrolo[3,4-d]pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 91617037
(2R)-3-[[[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-hydroxymethyl]amino]-2-methylpropanenitrile
CID 126605684

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(2,6-difluorophenyl)-5-hydroxy-6H-pyrrolo[3,4-d]pyrimidin-4-yl]amino]pyrazol-1-yl]-N-(1-hydroxypropan-2-yl)acetamide?
The IUPAC name of 2-[4-[[2-(2,6-difluorophenyl)-5-hydroxy-6H-pyrrolo[3,4-d]pyrimidin-4-yl]amino]pyrazol-1-yl]-N-(1-hydroxypropan-2-yl)acetamide (CID 137095135) is 2-[4-[[2-(2,6-difluorophenyl)-5-hydroxy-6H-pyrrolo[3,4-d]pyrimidin-4-yl]amino]pyrazol-1-yl]-N-(1-hydroxypropan-2-yl)acetamide.
What is the SMILES notation for 2-[4-[[2-(2,6-difluorophenyl)-5-hydroxy-6H-pyrrolo[3,4-d]pyrimidin-4-yl]amino]pyrazol-1-yl]-N-(1-hydroxypropan-2-yl)acetamide?
The canonical SMILES for 2-[4-[[2-(2,6-difluorophenyl)-5-hydroxy-6H-pyrrolo[3,4-d]pyrimidin-4-yl]amino]pyrazol-1-yl]-N-(1-hydroxypropan-2-yl)acetamide is CC(CO)NC(=O)Cn1cc(Nc2nc(-c3c(F)cccc3F)nc3c[nH]c(O)c23)cn1.
What is the InChIKey of 2-[4-[[2-(2,6-difluorophenyl)-5-hydroxy-6H-pyrrolo[3,4-d]pyrimidin-4-yl]amino]pyrazol-1-yl]-N-(1-hydroxypropan-2-yl)acetamide?
The InChIKey is ZMNJERIKJAWSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N7O3/c1-10(9-30)25-15(31)8-29-7-11(5-24-29)26-19-17-14(6-23-20(17)32)27-18(28-19)16-12(21)3-2-4-13(16)22/h2-7,10,23,30,32H,8-9H2,1H3,(H,25,31)(H,26,27,28).
What are the key properties of 2-[4-[[2-(2,6-difluorophenyl)-5-hydroxy-6H-pyrrolo[3,4-d]pyrimidin-4-yl]amino]pyrazol-1-yl]-N-(1-hydroxypropan-2-yl)acetamide?
2-[4-[[2-(2,6-difluorophenyl)-5-hydroxy-6H-pyrrolo[3,4-d]pyrimidin-4-yl]amino]pyrazol-1-yl]-N-(1-hydroxypropan-2-yl)acetamide has a molecular weight of 443.41 g/mol, XLogP of 2.05, 7 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(2,6-difluorophenyl)-5-hydroxy-6H-pyrrolo[3,4-d]pyrimidin-4-yl]amino]pyrazol-1-yl]-N-(1-hydroxypropan-2-yl)acetamide is sourced from PubChem (CID 137095135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).