5-[1-[2-amino-6-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-hydroxyethyl]-1H-pyridin-2-one

C22H20N8O2 — CID 67208911

IUPAC5-[1-[2-amino-6-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-hydroxyethyl]-1H-pyridin-2-one
SMILESCn1cc(-c2cnc3[nH]cc(-c4cc(C(C)(O)c5ccc(=O)[nH]c5)nc(N)n4)c3c2)cn1
InChIInChI=1S/C22H20N8O2/c1-22(32,14-3-4-19(31)24-9-14)18-6-17(28-21(23)29-18)16-10-26-20-15(16)5-12(7-25-20)13-8-27-30(2)11-13/h3-11,32H,1-2H3,(H,24,31)(H,25,26)(H2,23,28,29)
InChIKeyDLTJTDYFOUMYEY-UHFFFAOYSA-N
MW428.46 g/mol
LogP1.95
Rot. Bonds4

About 5-[1-[2-amino-6-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-hydroxyethyl]-1H-pyridin-2-one

5-[1-[2-amino-6-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-hydroxyethyl]-1H-pyridin-2-one (PubChem CID 67208911) has the molecular formula C22H20N8O2 and a molecular weight of 428.46 g/mol. Its IUPAC name is 5-[1-[2-amino-6-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-hydroxyethyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[1-[2-amino-6-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-hydroxyethyl]-1H-pyridin-2-one
PubChem CID67208911
Molecular FormulaC22H20N8O2
Molecular Weight428.46 g/mol
Exact Mass428.17
IUPAC Name5-[1-[2-amino-6-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-hydroxyethyl]-1H-pyridin-2-one
SMILESCn1cc(-c2cnc3[nH]cc(-c4cc(C(C)(O)c5ccc(=O)[nH]c5)nc(N)n4)c3c2)cn1
InChIInChI=1S/C22H20N8O2/c1-22(32,14-3-4-19(31)24-9-14)18-6-17(28-21(23)29-18)16-10-26-20-15(16)5-12(7-25-20)13-8-27-30(2)11-13/h3-11,32H,1-2H3,(H,24,31)(H,25,26)(H2,23,28,29)
InChIKeyDLTJTDYFOUMYEY-UHFFFAOYSA-N
XLogP1.95
TPSA151.39 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.46
LogP ≤ 51.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 5-[1-[2-amino-6-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-hydroxyethyl]-1H-pyridin-2-one 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

CID 156821421
CID 156821421
CID 59186263
CID 59186263
CID 155568953
CID 155568953
CID 156821341
CID 156821341
CID 57394914
CID 57394914
CID 71600397
CID 71600397
CID 127028197
CID 127028197
CID 149003255
CID 149003255
CID 155523535
CID 155523535
CID 155524274
CID 155524274
CID 155525956
CID 155525956
CID 155554605
CID 155554605

Frequently Asked Questions

What is the IUPAC name of 5-[1-[2-amino-6-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-hydroxyethyl]-1H-pyridin-2-one?
The IUPAC name of 5-[1-[2-amino-6-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-hydroxyethyl]-1H-pyridin-2-one (CID 67208911) is 5-[1-[2-amino-6-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-hydroxyethyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[1-[2-amino-6-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-hydroxyethyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[1-[2-amino-6-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-hydroxyethyl]-1H-pyridin-2-one is Cn1cc(-c2cnc3[nH]cc(-c4cc(C(C)(O)c5ccc(=O)[nH]c5)nc(N)n4)c3c2)cn1.
What is the InChIKey of 5-[1-[2-amino-6-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-hydroxyethyl]-1H-pyridin-2-one?
The InChIKey is DLTJTDYFOUMYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N8O2/c1-22(32,14-3-4-19(31)24-9-14)18-6-17(28-21(23)29-18)16-10-26-20-15(16)5-12(7-25-20)13-8-27-30(2)11-13/h3-11,32H,1-2H3,(H,24,31)(H,25,26)(H2,23,28,29).
What are the key properties of 5-[1-[2-amino-6-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-hydroxyethyl]-1H-pyridin-2-one?
5-[1-[2-amino-6-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-hydroxyethyl]-1H-pyridin-2-one has a molecular weight of 428.46 g/mol, XLogP of 1.95, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[2-amino-6-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-hydroxyethyl]-1H-pyridin-2-one is sourced from PubChem (CID 67208911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).