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

C20H16ClFN6O — CID 54670226

IUPAC7-[[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]amino]-N-methylpyrazolo[4,3-b]pyridine-1-carboxamide
SMILESCNC(=O)n1ncc2nccc(Nc3cc(-c4cc(Cl)ccc4F)ncc3C)c21
InChIInChI=1S/C20H16ClFN6O/c1-11-9-25-17(13-7-12(21)3-4-14(13)22)8-16(11)27-15-5-6-24-18-10-26-28(19(15)18)20(29)23-2/h3-10H,1-2H3,(H,23,29)(H,24,25,27)
InChIKeyOXLMDOWIAKYJJH-UHFFFAOYSA-N
MW410.84 g/mol
LogP4.53
Rot. Bonds3

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

7-[[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]amino]-N-methylpyrazolo[4,3-b]pyridine-1-carboxamide (PubChem CID 54670226) has the molecular formula C20H16ClFN6O and a molecular weight of 410.84 g/mol. Its IUPAC name is 7-[[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]amino]-N-methylpyrazolo[4,3-b]pyridine-1-carboxamide.

Molecular Properties

Compound Name7-[[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]amino]-N-methylpyrazolo[4,3-b]pyridine-1-carboxamide
PubChem CID54670226
Molecular FormulaC20H16ClFN6O
Molecular Weight410.84 g/mol
Exact Mass410.11
IUPAC Name7-[[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]amino]-N-methylpyrazolo[4,3-b]pyridine-1-carboxamide
SMILESCNC(=O)n1ncc2nccc(Nc3cc(-c4cc(Cl)ccc4F)ncc3C)c21
InChIInChI=1S/C20H16ClFN6O/c1-11-9-25-17(13-7-12(21)3-4-14(13)22)8-16(11)27-15-5-6-24-18-10-26-28(19(15)18)20(29)23-2/h3-10H,1-2H3,(H,23,29)(H,24,25,27)
InChIKeyOXLMDOWIAKYJJH-UHFFFAOYSA-N
XLogP4.53
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.84
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]amino]-N-methylpyrazolo[4,3-b]pyridine-1-carboxamide?
The IUPAC name of 7-[[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]amino]-N-methylpyrazolo[4,3-b]pyridine-1-carboxamide (CID 54670226) is 7-[[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]amino]-N-methylpyrazolo[4,3-b]pyridine-1-carboxamide.
What is the SMILES notation for 7-[[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]amino]-N-methylpyrazolo[4,3-b]pyridine-1-carboxamide?
The canonical SMILES for 7-[[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]amino]-N-methylpyrazolo[4,3-b]pyridine-1-carboxamide is CNC(=O)n1ncc2nccc(Nc3cc(-c4cc(Cl)ccc4F)ncc3C)c21.
What is the InChIKey of 7-[[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]amino]-N-methylpyrazolo[4,3-b]pyridine-1-carboxamide?
The InChIKey is OXLMDOWIAKYJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN6O/c1-11-9-25-17(13-7-12(21)3-4-14(13)22)8-16(11)27-15-5-6-24-18-10-26-28(19(15)18)20(29)23-2/h3-10H,1-2H3,(H,23,29)(H,24,25,27).
What are the key properties of 7-[[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]amino]-N-methylpyrazolo[4,3-b]pyridine-1-carboxamide?
7-[[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]amino]-N-methylpyrazolo[4,3-b]pyridine-1-carboxamide has a molecular weight of 410.84 g/mol, XLogP of 4.53, 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)-5-methyl-4-pyridinyl]amino]-N-methylpyrazolo[4,3-b]pyridine-1-carboxamide is sourced from PubChem (CID 54670226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).