2-[7-[[2-(5-chloro-2-fluorophenyl)-6-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]acetamide;2-[7-[[2-(5-chloro-2-fluorophenyl)-6-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]acetamide

C40H32Cl2F2N12O2 — CID 159752210

IUPAC2-[7-[[2-(5-chloro-2-fluorophenyl)-6-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]acetamide;2-[7-[[2-(5-chloro-2-fluorophenyl)-6-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]acetamide
SMILESCc1cc(Nc2ccnc3cn(CC(N)=O)nc23)cc(-c2cc(Cl)ccc2F)n1.Cc1cc(Nc2ccnc3cnn(CC(N)=O)c23)cc(-c2cc(Cl)ccc2F)n1
InChIInChI=1S/2C20H16ClFN6O/c1-11-6-13(8-17(25-11)14-7-12(21)2-3-15(14)22)26-16-4-5-24-18-9-28(10-19(23)29)27-20(16)18;1-11-6-13(8-17(26-11)14-7-12(21)2-3-15(14)22)27-16-4-5-24-18-9-25-28(20(16)18)10-19(23)29/h2-9H,10H2,1H3,(H2,23,29)(H,25,26);2-9H,10H2,1H3,(H2,23,29)(H,24,26,27)
InChIKeyNDUFGTLCWFRTEY-UHFFFAOYSA-N
MW821.68 g/mol
LogP7.65
Rot. Bonds10

About 2-[7-[[2-(5-chloro-2-fluorophenyl)-6-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]acetamide;2-[7-[[2-(5-chloro-2-fluorophenyl)-6-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]acetamide

2-[7-[[2-(5-chloro-2-fluorophenyl)-6-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]acetamide;2-[7-[[2-(5-chloro-2-fluorophenyl)-6-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]acetamide (PubChem CID 159752210) has the molecular formula C40H32Cl2F2N12O2 and a molecular weight of 821.68 g/mol. Its IUPAC name is 2-[7-[[2-(5-chloro-2-fluorophenyl)-6-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]acetamide;2-[7-[[2-(5-chloro-2-fluorophenyl)-6-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]acetamide.

Molecular Properties

Compound Name2-[7-[[2-(5-chloro-2-fluorophenyl)-6-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]acetamide;2-[7-[[2-(5-chloro-2-fluorophenyl)-6-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]acetamide
PubChem CID159752210
Molecular FormulaC40H32Cl2F2N12O2
Molecular Weight821.68 g/mol
Exact Mass820.21
IUPAC Name2-[7-[[2-(5-chloro-2-fluorophenyl)-6-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]acetamide;2-[7-[[2-(5-chloro-2-fluorophenyl)-6-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]acetamide
SMILESCc1cc(Nc2ccnc3cn(CC(N)=O)nc23)cc(-c2cc(Cl)ccc2F)n1.Cc1cc(Nc2ccnc3cnn(CC(N)=O)c23)cc(-c2cc(Cl)ccc2F)n1
InChIInChI=1S/2C20H16ClFN6O/c1-11-6-13(8-17(25-11)14-7-12(21)2-3-15(14)22)26-16-4-5-24-18-9-28(10-19(23)29)27-20(16)18;1-11-6-13(8-17(26-11)14-7-12(21)2-3-15(14)22)27-16-4-5-24-18-9-25-28(20(16)18)10-19(23)29/h2-9H,10H2,1H3,(H2,23,29)(H,25,26);2-9H,10H2,1H3,(H2,23,29)(H,24,26,27)
InChIKeyNDUFGTLCWFRTEY-UHFFFAOYSA-N
XLogP7.65
TPSA197.44 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500821.68
LogP ≤ 57.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 2-[7-[[2-(5-chloro-2-fluorophenyl)-6-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]acetamide;2-[7-[[2-(5-chloro-2-fluorophenyl)-6-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]acetamide 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 2-[7-[[2-(5-chloro-2-fluorophenyl)-6-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]acetamide;2-[7-[[2-(5-chloro-2-fluorophenyl)-6-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]acetamide?
The IUPAC name of 2-[7-[[2-(5-chloro-2-fluorophenyl)-6-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]acetamide;2-[7-[[2-(5-chloro-2-fluorophenyl)-6-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]acetamide (CID 159752210) is 2-[7-[[2-(5-chloro-2-fluorophenyl)-6-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]acetamide;2-[7-[[2-(5-chloro-2-fluorophenyl)-6-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]acetamide.
What is the SMILES notation for 2-[7-[[2-(5-chloro-2-fluorophenyl)-6-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]acetamide;2-[7-[[2-(5-chloro-2-fluorophenyl)-6-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]acetamide?
The canonical SMILES for 2-[7-[[2-(5-chloro-2-fluorophenyl)-6-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]acetamide;2-[7-[[2-(5-chloro-2-fluorophenyl)-6-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]acetamide is Cc1cc(Nc2ccnc3cn(CC(N)=O)nc23)cc(-c2cc(Cl)ccc2F)n1.Cc1cc(Nc2ccnc3cnn(CC(N)=O)c23)cc(-c2cc(Cl)ccc2F)n1.
What is the InChIKey of 2-[7-[[2-(5-chloro-2-fluorophenyl)-6-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]acetamide;2-[7-[[2-(5-chloro-2-fluorophenyl)-6-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]acetamide?
The InChIKey is NDUFGTLCWFRTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H16ClFN6O/c1-11-6-13(8-17(25-11)14-7-12(21)2-3-15(14)22)26-16-4-5-24-18-9-28(10-19(23)29)27-20(16)18;1-11-6-13(8-17(26-11)14-7-12(21)2-3-15(14)22)27-16-4-5-24-18-9-25-28(20(16)18)10-19(23)29/h2-9H,10H2,1H3,(H2,23,29)(H,25,26);2-9H,10H2,1H3,(H2,23,29)(H,24,26,27).
What are the key properties of 2-[7-[[2-(5-chloro-2-fluorophenyl)-6-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]acetamide;2-[7-[[2-(5-chloro-2-fluorophenyl)-6-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]acetamide?
2-[7-[[2-(5-chloro-2-fluorophenyl)-6-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]acetamide;2-[7-[[2-(5-chloro-2-fluorophenyl)-6-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]acetamide has a molecular weight of 821.68 g/mol, XLogP of 7.65, 10 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[[2-(5-chloro-2-fluorophenyl)-6-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]acetamide;2-[7-[[2-(5-chloro-2-fluorophenyl)-6-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]acetamide is sourced from PubChem (CID 159752210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).