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

C20H16ClFN6O — CID 54670129

IUPAC2-[7-[[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]acetamide
SMILESCc1cnc(-c2cc(Cl)ccc2F)cc1Nc1ccnc2cn(CC(N)=O)nc12
InChIInChI=1S/C20H16ClFN6O/c1-11-8-25-17(13-6-12(21)2-3-14(13)22)7-16(11)26-15-4-5-24-18-9-28(10-19(23)29)27-20(15)18/h2-9H,10H2,1H3,(H2,23,29)(H,25,26)
InChIKeyMNDXGBSMZPXPFM-UHFFFAOYSA-N
MW410.84 g/mol
LogP3.82
Rot. Bonds5

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

2-[7-[[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]acetamide (PubChem CID 54670129) has the molecular formula C20H16ClFN6O and a molecular weight of 410.84 g/mol. Its IUPAC name is 2-[7-[[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]acetamide.

Molecular Properties

Compound Name2-[7-[[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]acetamide
PubChem CID54670129
Molecular FormulaC20H16ClFN6O
Molecular Weight410.84 g/mol
Exact Mass410.11
IUPAC Name2-[7-[[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]acetamide
SMILESCc1cnc(-c2cc(Cl)ccc2F)cc1Nc1ccnc2cn(CC(N)=O)nc12
InChIInChI=1S/C20H16ClFN6O/c1-11-8-25-17(13-6-12(21)2-3-14(13)22)7-16(11)26-15-4-5-24-18-9-28(10-19(23)29)27-20(15)18/h2-9H,10H2,1H3,(H2,23,29)(H,25,26)
InChIKeyMNDXGBSMZPXPFM-UHFFFAOYSA-N
XLogP3.82
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.84
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[7-[[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]acetamide with MolForge

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Related Compounds

N-[2-(5-Chloro-2-Fluorophenyl)pyridin-4-Yl]-2-[(Piperidin-4-Yl)methyl]-2h-Pyrazolo[4,3-B]pyridin-7-Amine
CID 54671256
Factor D inhibitor 6
CID 68283608
2-[1-[2-(5-Chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]-2-oxoimidazo[4,5-c]pyridin-3-yl]acetamide
CID 145925651
ML300-based SC inhibitor 28
CID 156027225
ML300-based SC inhibitor 31
CID 156027227
ML300-based SC inhibitor 34
CID 156027230
ML300-based SC inhibitor 39
CID 156027235
N-(2-(2,5-difluorophenyl)-5-methylpyridin-4-yl)-1H-pyrazolo[4,3-b]pyridin-7-amine
CID 54671061
7-[[2-(2,5-difluorophenyl)-5-methyl-4-pyridinyl]amino]-N-methylpyrazolo[4,3-b]pyridine-1-carboxamide
CID 54671062
ML300-based SC inhibitor 29
CID 156027226
7-Chloro-2-(4-fluorophenyl)-3-(4-pyridinyl)pyrazolo[1,5-a]pyridine
CID 9858407
2-[7-[[2-(5-Chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]acetamide
CID 54670034

Frequently Asked Questions

What is the IUPAC name of 2-[7-[[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]acetamide?
The IUPAC name of 2-[7-[[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]acetamide (CID 54670129) is 2-[7-[[2-(5-chloro-2-fluorophenyl)-5-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)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]acetamide?
The canonical SMILES for 2-[7-[[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]acetamide is Cc1cnc(-c2cc(Cl)ccc2F)cc1Nc1ccnc2cn(CC(N)=O)nc12.
What is the InChIKey of 2-[7-[[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]acetamide?
The InChIKey is MNDXGBSMZPXPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN6O/c1-11-8-25-17(13-6-12(21)2-3-14(13)22)7-16(11)26-15-4-5-24-18-9-28(10-19(23)29)27-20(15)18/h2-9H,10H2,1H3,(H2,23,29)(H,25,26).
What are the key properties of 2-[7-[[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]acetamide?
2-[7-[[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]acetamide has a molecular weight of 410.84 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]acetamide is sourced from PubChem (CID 54670129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).