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

C19H14ClFN6O — CID 54671350

IUPAC7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]-N-methylpyrazolo[4,3-b]pyridine-1-carboxamide
SMILESCNC(=O)n1ncc2nccc(Nc3ccnc(-c4cc(Cl)ccc4F)c3)c21
InChIInChI=1S/C19H14ClFN6O/c1-22-19(28)27-18-15(5-7-24-17(18)10-25-27)26-12-4-6-23-16(9-12)13-8-11(20)2-3-14(13)21/h2-10H,1H3,(H,22,28)(H,23,24,26)
InChIKeyLPQSQEQXYKNLJS-UHFFFAOYSA-N
MW396.81 g/mol
LogP4.22
Rot. Bonds3

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

7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]-N-methylpyrazolo[4,3-b]pyridine-1-carboxamide (PubChem CID 54671350) has the molecular formula C19H14ClFN6O and a molecular weight of 396.81 g/mol. Its IUPAC name is 7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]-N-methylpyrazolo[4,3-b]pyridine-1-carboxamide.

Molecular Properties

Compound Name7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]-N-methylpyrazolo[4,3-b]pyridine-1-carboxamide
PubChem CID54671350
Molecular FormulaC19H14ClFN6O
Molecular Weight396.81 g/mol
Exact Mass396.09
IUPAC Name7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]-N-methylpyrazolo[4,3-b]pyridine-1-carboxamide
SMILESCNC(=O)n1ncc2nccc(Nc3ccnc(-c4cc(Cl)ccc4F)c3)c21
InChIInChI=1S/C19H14ClFN6O/c1-22-19(28)27-18-15(5-7-24-17(18)10-25-27)26-12-4-6-23-16(9-12)13-8-11(20)2-3-14(13)21/h2-10H,1H3,(H,22,28)(H,23,24,26)
InChIKeyLPQSQEQXYKNLJS-UHFFFAOYSA-N
XLogP4.22
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.81
LogP ≤ 54.22
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)-4-pyridinyl]amino]-N-methylpyrazolo[4,3-b]pyridine-1-carboxamide?
The IUPAC name of 7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]-N-methylpyrazolo[4,3-b]pyridine-1-carboxamide (CID 54671350) is 7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]-N-methylpyrazolo[4,3-b]pyridine-1-carboxamide.
What is the SMILES notation for 7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]-N-methylpyrazolo[4,3-b]pyridine-1-carboxamide?
The canonical SMILES for 7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]-N-methylpyrazolo[4,3-b]pyridine-1-carboxamide is CNC(=O)n1ncc2nccc(Nc3ccnc(-c4cc(Cl)ccc4F)c3)c21.
What is the InChIKey of 7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]-N-methylpyrazolo[4,3-b]pyridine-1-carboxamide?
The InChIKey is LPQSQEQXYKNLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN6O/c1-22-19(28)27-18-15(5-7-24-17(18)10-25-27)26-12-4-6-23-16(9-12)13-8-11(20)2-3-14(13)21/h2-10H,1H3,(H,22,28)(H,23,24,26).
What are the key properties of 7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]-N-methylpyrazolo[4,3-b]pyridine-1-carboxamide?
7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]-N-methylpyrazolo[4,3-b]pyridine-1-carboxamide has a molecular weight of 396.81 g/mol, XLogP of 4.22, 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]-N-methylpyrazolo[4,3-b]pyridine-1-carboxamide is sourced from PubChem (CID 54671350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).