1-(1H-benzimidazol-2-yl)-4-(2,5-difluorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C20H15F2N5O — CID 135964884

IUPAC1-(1H-benzimidazol-2-yl)-4-(2,5-difluorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1nn(-c2nc3ccccc3[nH]2)c2c1C(c1cc(F)ccc1F)CC(=O)N2
InChIInChI=1S/C20H15F2N5O/c1-10-18-13(12-8-11(21)6-7-14(12)22)9-17(28)25-19(18)27(26-10)20-23-15-4-2-3-5-16(15)24-20/h2-8,13H,9H2,1H3,(H,23,24)(H,25,28)
InChIKeyAXGLHAGMZZEDBO-UHFFFAOYSA-N
MW379.37 g/mol
LogP3.81
Rot. Bonds2

About 1-(1H-benzimidazol-2-yl)-4-(2,5-difluorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

1-(1H-benzimidazol-2-yl)-4-(2,5-difluorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135964884) has the molecular formula C20H15F2N5O and a molecular weight of 379.37 g/mol. Its IUPAC name is 1-(1H-benzimidazol-2-yl)-4-(2,5-difluorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name1-(1H-benzimidazol-2-yl)-4-(2,5-difluorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135964884
Molecular FormulaC20H15F2N5O
Molecular Weight379.37 g/mol
Exact Mass379.12
IUPAC Name1-(1H-benzimidazol-2-yl)-4-(2,5-difluorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1nn(-c2nc3ccccc3[nH]2)c2c1C(c1cc(F)ccc1F)CC(=O)N2
InChIInChI=1S/C20H15F2N5O/c1-10-18-13(12-8-11(21)6-7-14(12)22)9-17(28)25-19(18)27(26-10)20-23-15-4-2-3-5-16(15)24-20/h2-8,13H,9H2,1H3,(H,23,24)(H,25,28)
InChIKeyAXGLHAGMZZEDBO-UHFFFAOYSA-N
XLogP3.81
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-benzimidazol-2-yl)-4-(2,5-difluorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 1-(1H-benzimidazol-2-yl)-4-(2,5-difluorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 135964884) is 1-(1H-benzimidazol-2-yl)-4-(2,5-difluorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 1-(1H-benzimidazol-2-yl)-4-(2,5-difluorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 1-(1H-benzimidazol-2-yl)-4-(2,5-difluorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is Cc1nn(-c2nc3ccccc3[nH]2)c2c1C(c1cc(F)ccc1F)CC(=O)N2.
What is the InChIKey of 1-(1H-benzimidazol-2-yl)-4-(2,5-difluorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is AXGLHAGMZZEDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N5O/c1-10-18-13(12-8-11(21)6-7-14(12)22)9-17(28)25-19(18)27(26-10)20-23-15-4-2-3-5-16(15)24-20/h2-8,13H,9H2,1H3,(H,23,24)(H,25,28).
What are the key properties of 1-(1H-benzimidazol-2-yl)-4-(2,5-difluorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
1-(1H-benzimidazol-2-yl)-4-(2,5-difluorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 379.37 g/mol, XLogP of 3.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-benzimidazol-2-yl)-4-(2,5-difluorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135964884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).