2-[7-[[2-(2,5-difluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]acetamide

C19H14F2N6O — CID 54670695

IUPAC2-[7-[[2-(2,5-difluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]acetamide
SMILESNC(=O)Cn1cc2nccc(Nc3ccnc(-c4cc(F)ccc4F)c3)c2n1
InChIInChI=1S/C19H14F2N6O/c20-11-1-2-14(21)13(7-11)16-8-12(3-5-23-16)25-15-4-6-24-17-9-27(10-18(22)28)26-19(15)17/h1-9H,10H2,(H2,22,28)(H,23,25)
InChIKeyAGQLXXKLYMUUBJ-UHFFFAOYSA-N
MW380.36 g/mol
LogP3.00
Rot. Bonds5

About 2-[7-[[2-(2,5-difluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]acetamide

2-[7-[[2-(2,5-difluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]acetamide (PubChem CID 54670695) has the molecular formula C19H14F2N6O and a molecular weight of 380.36 g/mol. Its IUPAC name is 2-[7-[[2-(2,5-difluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]acetamide.

Molecular Properties

Compound Name2-[7-[[2-(2,5-difluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]acetamide
PubChem CID54670695
Molecular FormulaC19H14F2N6O
Molecular Weight380.36 g/mol
Exact Mass380.12
IUPAC Name2-[7-[[2-(2,5-difluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]acetamide
SMILESNC(=O)Cn1cc2nccc(Nc3ccnc(-c4cc(F)ccc4F)c3)c2n1
InChIInChI=1S/C19H14F2N6O/c20-11-1-2-14(21)13(7-11)16-8-12(3-5-23-16)25-15-4-6-24-17-9-27(10-18(22)28)26-19(15)17/h1-9H,10H2,(H2,22,28)(H,23,25)
InChIKeyAGQLXXKLYMUUBJ-UHFFFAOYSA-N
XLogP3.00
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.36
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[7-[[2-(2,5-difluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]acetamide?
The IUPAC name of 2-[7-[[2-(2,5-difluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]acetamide (CID 54670695) is 2-[7-[[2-(2,5-difluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]acetamide.
What is the SMILES notation for 2-[7-[[2-(2,5-difluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]acetamide?
The canonical SMILES for 2-[7-[[2-(2,5-difluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]acetamide is NC(=O)Cn1cc2nccc(Nc3ccnc(-c4cc(F)ccc4F)c3)c2n1.
What is the InChIKey of 2-[7-[[2-(2,5-difluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]acetamide?
The InChIKey is AGQLXXKLYMUUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N6O/c20-11-1-2-14(21)13(7-11)16-8-12(3-5-23-16)25-15-4-6-24-17-9-27(10-18(22)28)26-19(15)17/h1-9H,10H2,(H2,22,28)(H,23,25).
What are the key properties of 2-[7-[[2-(2,5-difluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]acetamide?
2-[7-[[2-(2,5-difluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]acetamide has a molecular weight of 380.36 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[[2-(2,5-difluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]acetamide is sourced from PubChem (CID 54670695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).