5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(2-hydroxyethyl)pyrimidine-4-carboxamide

C22H21FN6O2 — CID 22714279

IUPAC5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(2-hydroxyethyl)pyrimidine-4-carboxamide
SMILESCCc1cnc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1C(=O)NCCO
InChIInChI=1S/C22H21FN6O2/c1-2-14-12-26-20(27-18(14)22(31)25-10-11-30)19-16-7-5-9-24-21(16)29(28-19)13-15-6-3-4-8-17(15)23/h3-9,12,30H,2,10-11,13H2,1H3,(H,25,31)
InChIKeyQTAHYJQVXMSAOA-UHFFFAOYSA-N
MW420.45 g/mol
LogP2.36
Rot. Bonds7

About 5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(2-hydroxyethyl)pyrimidine-4-carboxamide

5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(2-hydroxyethyl)pyrimidine-4-carboxamide (PubChem CID 22714279) has the molecular formula C22H21FN6O2 and a molecular weight of 420.45 g/mol. Its IUPAC name is 5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(2-hydroxyethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(2-hydroxyethyl)pyrimidine-4-carboxamide
PubChem CID22714279
Molecular FormulaC22H21FN6O2
Molecular Weight420.45 g/mol
Exact Mass420.17
IUPAC Name5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(2-hydroxyethyl)pyrimidine-4-carboxamide
SMILESCCc1cnc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1C(=O)NCCO
InChIInChI=1S/C22H21FN6O2/c1-2-14-12-26-20(27-18(14)22(31)25-10-11-30)19-16-7-5-9-24-21(16)29(28-19)13-15-6-3-4-8-17(15)23/h3-9,12,30H,2,10-11,13H2,1H3,(H,25,31)
InChIKeyQTAHYJQVXMSAOA-UHFFFAOYSA-N
XLogP2.36
TPSA105.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.45
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(2-hydroxyethyl)pyrimidine-4-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 5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(2-hydroxyethyl)pyrimidine-4-carboxamide?
The IUPAC name of 5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(2-hydroxyethyl)pyrimidine-4-carboxamide (CID 22714279) is 5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(2-hydroxyethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(2-hydroxyethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(2-hydroxyethyl)pyrimidine-4-carboxamide is CCc1cnc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1C(=O)NCCO.
What is the InChIKey of 5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(2-hydroxyethyl)pyrimidine-4-carboxamide?
The InChIKey is QTAHYJQVXMSAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN6O2/c1-2-14-12-26-20(27-18(14)22(31)25-10-11-30)19-16-7-5-9-24-21(16)29(28-19)13-15-6-3-4-8-17(15)23/h3-9,12,30H,2,10-11,13H2,1H3,(H,25,31).
What are the key properties of 5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(2-hydroxyethyl)pyrimidine-4-carboxamide?
5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(2-hydroxyethyl)pyrimidine-4-carboxamide has a molecular weight of 420.45 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(2-hydroxyethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 22714279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).