7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridine-1-carboxamide

C18H12ClFN6O — CID 54671259

IUPAC7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridine-1-carboxamide
SMILESNC(=O)n1ncc2nccc(Nc3ccnc(-c4cc(Cl)ccc4F)c3)c21
InChIInChI=1S/C18H12ClFN6O/c19-10-1-2-13(20)12(7-10)15-8-11(3-5-22-15)25-14-4-6-23-16-9-24-26(17(14)16)18(21)27/h1-9H,(H2,21,27)(H,22,23,25)
InChIKeyKQLPPKWGYINRMI-UHFFFAOYSA-N
MW382.79 g/mol
LogP3.96
Rot. Bonds3

About 7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridine-1-carboxamide

7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridine-1-carboxamide (PubChem CID 54671259) has the molecular formula C18H12ClFN6O and a molecular weight of 382.79 g/mol. Its IUPAC name is 7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridine-1-carboxamide.

Molecular Properties

Compound Name7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridine-1-carboxamide
PubChem CID54671259
Molecular FormulaC18H12ClFN6O
Molecular Weight382.79 g/mol
Exact Mass382.07
IUPAC Name7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridine-1-carboxamide
SMILESNC(=O)n1ncc2nccc(Nc3ccnc(-c4cc(Cl)ccc4F)c3)c21
InChIInChI=1S/C18H12ClFN6O/c19-10-1-2-13(20)12(7-10)15-8-11(3-5-22-15)25-14-4-6-23-16-9-24-26(17(14)16)18(21)27/h1-9H,(H2,21,27)(H,22,23,25)
InChIKeyKQLPPKWGYINRMI-UHFFFAOYSA-N
XLogP3.96
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.79
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridine-1-carboxamide with MolForge

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Related Compounds

N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-7-amine
CID 54671064
7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-4-pyridinyl]amino]-N-methylpyrazolo[4,3-b]pyridine-1-carboxamide
CID 67470527
N-ethyl-7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridine-1-carboxamide
CID 54670970
7-[[2-(2,5-difluorophenyl)-5-methyl-4-pyridinyl]amino]-N-ethylpyrazolo[4,3-b]pyridine-1-carboxamide
CID 67470617
N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-2-(piperidin-1-ylmethyl)pyrazolo[4,3-b]pyridin-7-amine
CID 67469558
N-[2-(2,5-difluorophenyl)-4-pyridinyl]quinolin-4-amine
CID 164628039
N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-2-(oxan-4-ylmethyl)pyrazolo[4,3-b]pyridin-7-amine
CID 54671160
4-(5-chloro-2-fluoroanilino)pyridine-2-carboxylic acid
CID 43438570
acetyl fluoride;7-chloro-N-(4-fluorophenyl)quinolin-4-amine
CID 144507995
1-[7-[[2-(2,5-difluorophenyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]propan-2-ol
CID 67470405
N-[4-[[6-(5-chloro-2-fluorophenyl)-3-(hydroxymethyl)pyridazin-4-yl]amino]-2-pyridinyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 163662237
1-[4-[[6-(5-chloro-2-fluorophenyl)-3-(2-pyrrolidin-1-ylethoxy)pyridazin-4-yl]amino]-2-pyridinyl]cyclopropane-1-carboxamide
CID 175604677

Frequently Asked Questions

What is the IUPAC name of 7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridine-1-carboxamide?
The IUPAC name of 7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridine-1-carboxamide (CID 54671259) is 7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridine-1-carboxamide.
What is the SMILES notation for 7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridine-1-carboxamide?
The canonical SMILES for 7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridine-1-carboxamide is NC(=O)n1ncc2nccc(Nc3ccnc(-c4cc(Cl)ccc4F)c3)c21.
What is the InChIKey of 7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridine-1-carboxamide?
The InChIKey is KQLPPKWGYINRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClFN6O/c19-10-1-2-13(20)12(7-10)15-8-11(3-5-22-15)25-14-4-6-23-16-9-24-26(17(14)16)18(21)27/h1-9H,(H2,21,27)(H,22,23,25).
What are the key properties of 7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridine-1-carboxamide?
7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridine-1-carboxamide has a molecular weight of 382.79 g/mol, XLogP of 3.96, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridine-1-carboxamide is sourced from PubChem (CID 54671259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).