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

C20H15ClF2N6O — CID 54670330

IUPAC7-[[2-(5-chloro-2,4-difluorophenyl)-4-pyridinyl]amino]-N-ethylpyrazolo[4,3-b]pyridine-1-carboxamide
SMILESCCNC(=O)n1ncc2nccc(Nc3ccnc(-c4cc(Cl)c(F)cc4F)c3)c21
InChIInChI=1S/C20H15ClF2N6O/c1-2-24-20(30)29-19-16(4-6-26-18(19)10-27-29)28-11-3-5-25-17(7-11)12-8-13(21)15(23)9-14(12)22/h3-10H,2H2,1H3,(H,24,30)(H,25,26,28)
InChIKeyNCYJDVAEGLNGBX-UHFFFAOYSA-N
MW428.83 g/mol
LogP4.75
Rot. Bonds4

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

7-[[2-(5-chloro-2,4-difluorophenyl)-4-pyridinyl]amino]-N-ethylpyrazolo[4,3-b]pyridine-1-carboxamide (PubChem CID 54670330) has the molecular formula C20H15ClF2N6O and a molecular weight of 428.83 g/mol. Its IUPAC name is 7-[[2-(5-chloro-2,4-difluorophenyl)-4-pyridinyl]amino]-N-ethylpyrazolo[4,3-b]pyridine-1-carboxamide.

Molecular Properties

Compound Name7-[[2-(5-chloro-2,4-difluorophenyl)-4-pyridinyl]amino]-N-ethylpyrazolo[4,3-b]pyridine-1-carboxamide
PubChem CID54670330
Molecular FormulaC20H15ClF2N6O
Molecular Weight428.83 g/mol
Exact Mass428.10
IUPAC Name7-[[2-(5-chloro-2,4-difluorophenyl)-4-pyridinyl]amino]-N-ethylpyrazolo[4,3-b]pyridine-1-carboxamide
SMILESCCNC(=O)n1ncc2nccc(Nc3ccnc(-c4cc(Cl)c(F)cc4F)c3)c21
InChIInChI=1S/C20H15ClF2N6O/c1-2-24-20(30)29-19-16(4-6-26-18(19)10-27-29)28-11-3-5-25-17(7-11)12-8-13(21)15(23)9-14(12)22/h3-10H,2H2,1H3,(H,24,30)(H,25,26,28)
InChIKeyNCYJDVAEGLNGBX-UHFFFAOYSA-N
XLogP4.75
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.83
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[[2-(5-chloro-2,4-difluorophenyl)-4-pyridinyl]amino]-N-ethylpyrazolo[4,3-b]pyridine-1-carboxamide?
The IUPAC name of 7-[[2-(5-chloro-2,4-difluorophenyl)-4-pyridinyl]amino]-N-ethylpyrazolo[4,3-b]pyridine-1-carboxamide (CID 54670330) is 7-[[2-(5-chloro-2,4-difluorophenyl)-4-pyridinyl]amino]-N-ethylpyrazolo[4,3-b]pyridine-1-carboxamide.
What is the SMILES notation for 7-[[2-(5-chloro-2,4-difluorophenyl)-4-pyridinyl]amino]-N-ethylpyrazolo[4,3-b]pyridine-1-carboxamide?
The canonical SMILES for 7-[[2-(5-chloro-2,4-difluorophenyl)-4-pyridinyl]amino]-N-ethylpyrazolo[4,3-b]pyridine-1-carboxamide is CCNC(=O)n1ncc2nccc(Nc3ccnc(-c4cc(Cl)c(F)cc4F)c3)c21.
What is the InChIKey of 7-[[2-(5-chloro-2,4-difluorophenyl)-4-pyridinyl]amino]-N-ethylpyrazolo[4,3-b]pyridine-1-carboxamide?
The InChIKey is NCYJDVAEGLNGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF2N6O/c1-2-24-20(30)29-19-16(4-6-26-18(19)10-27-29)28-11-3-5-25-17(7-11)12-8-13(21)15(23)9-14(12)22/h3-10H,2H2,1H3,(H,24,30)(H,25,26,28).
What are the key properties of 7-[[2-(5-chloro-2,4-difluorophenyl)-4-pyridinyl]amino]-N-ethylpyrazolo[4,3-b]pyridine-1-carboxamide?
7-[[2-(5-chloro-2,4-difluorophenyl)-4-pyridinyl]amino]-N-ethylpyrazolo[4,3-b]pyridine-1-carboxamide has a molecular weight of 428.83 g/mol, XLogP of 4.75, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-(5-chloro-2,4-difluorophenyl)-4-pyridinyl]amino]-N-ethylpyrazolo[4,3-b]pyridine-1-carboxamide is sourced from PubChem (CID 54670330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).