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

C20H16ClFN6O — CID 54669944

IUPAC7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]-N,N-dimethylpyrazolo[4,3-b]pyridine-1-carboxamide
SMILESCN(C)C(=O)n1ncc2nccc(Nc3ccnc(-c4cc(Cl)ccc4F)c3)c21
InChIInChI=1S/C20H16ClFN6O/c1-27(2)20(29)28-19-16(6-8-24-18(19)11-25-28)26-13-5-7-23-17(10-13)14-9-12(21)3-4-15(14)22/h3-11H,1-2H3,(H,23,24,26)
InChIKeyBIFXVESRUCTWKP-UHFFFAOYSA-N
MW410.84 g/mol
LogP4.56
Rot. Bonds3

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

7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]-N,N-dimethylpyrazolo[4,3-b]pyridine-1-carboxamide (PubChem CID 54669944) has the molecular formula C20H16ClFN6O and a molecular weight of 410.84 g/mol. Its IUPAC name is 7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]-N,N-dimethylpyrazolo[4,3-b]pyridine-1-carboxamide.

Molecular Properties

Compound Name7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]-N,N-dimethylpyrazolo[4,3-b]pyridine-1-carboxamide
PubChem CID54669944
Molecular FormulaC20H16ClFN6O
Molecular Weight410.84 g/mol
Exact Mass410.11
IUPAC Name7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]-N,N-dimethylpyrazolo[4,3-b]pyridine-1-carboxamide
SMILESCN(C)C(=O)n1ncc2nccc(Nc3ccnc(-c4cc(Cl)ccc4F)c3)c21
InChIInChI=1S/C20H16ClFN6O/c1-27(2)20(29)28-19-16(6-8-24-18(19)11-25-28)26-13-5-7-23-17(10-13)14-9-12(21)3-4-15(14)22/h3-11H,1-2H3,(H,23,24,26)
InChIKeyBIFXVESRUCTWKP-UHFFFAOYSA-N
XLogP4.56
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.84
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]-N,N-dimethylpyrazolo[4,3-b]pyridine-1-carboxamide?
The IUPAC name of 7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]-N,N-dimethylpyrazolo[4,3-b]pyridine-1-carboxamide (CID 54669944) is 7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]-N,N-dimethylpyrazolo[4,3-b]pyridine-1-carboxamide.
What is the SMILES notation for 7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]-N,N-dimethylpyrazolo[4,3-b]pyridine-1-carboxamide?
The canonical SMILES for 7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]-N,N-dimethylpyrazolo[4,3-b]pyridine-1-carboxamide is CN(C)C(=O)n1ncc2nccc(Nc3ccnc(-c4cc(Cl)ccc4F)c3)c21.
What is the InChIKey of 7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]-N,N-dimethylpyrazolo[4,3-b]pyridine-1-carboxamide?
The InChIKey is BIFXVESRUCTWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN6O/c1-27(2)20(29)28-19-16(6-8-24-18(19)11-25-28)26-13-5-7-23-17(10-13)14-9-12(21)3-4-15(14)22/h3-11H,1-2H3,(H,23,24,26).
What are the key properties of 7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]-N,N-dimethylpyrazolo[4,3-b]pyridine-1-carboxamide?
7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]-N,N-dimethylpyrazolo[4,3-b]pyridine-1-carboxamide has a molecular weight of 410.84 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 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]-N,N-dimethylpyrazolo[4,3-b]pyridine-1-carboxamide is sourced from PubChem (CID 54669944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).