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

C21H17F2N5O — CID 135964896

IUPAC4-(2,5-difluorophenyl)-3-methyl-1-(1-methylbenzimidazol-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1nn(-c2nc3ccccc3n2C)c2c1C(c1cc(F)ccc1F)CC(=O)N2
InChIInChI=1S/C21H17F2N5O/c1-11-19-14(13-9-12(22)7-8-15(13)23)10-18(29)25-20(19)28(26-11)21-24-16-5-3-4-6-17(16)27(21)2/h3-9,14H,10H2,1-2H3,(H,25,29)
InChIKeyNTXUBAZJNPIMEN-UHFFFAOYSA-N
MW393.40 g/mol
LogP3.82
Rot. Bonds2

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

4-(2,5-difluorophenyl)-3-methyl-1-(1-methylbenzimidazol-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135964896) has the molecular formula C21H17F2N5O and a molecular weight of 393.40 g/mol. Its IUPAC name is 4-(2,5-difluorophenyl)-3-methyl-1-(1-methylbenzimidazol-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name4-(2,5-difluorophenyl)-3-methyl-1-(1-methylbenzimidazol-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135964896
Molecular FormulaC21H17F2N5O
Molecular Weight393.40 g/mol
Exact Mass393.14
IUPAC Name4-(2,5-difluorophenyl)-3-methyl-1-(1-methylbenzimidazol-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1nn(-c2nc3ccccc3n2C)c2c1C(c1cc(F)ccc1F)CC(=O)N2
InChIInChI=1S/C21H17F2N5O/c1-11-19-14(13-9-12(22)7-8-15(13)23)10-18(29)25-20(19)28(26-11)21-24-16-5-3-4-6-17(16)27(21)2/h3-9,14H,10H2,1-2H3,(H,25,29)
InChIKeyNTXUBAZJNPIMEN-UHFFFAOYSA-N
XLogP3.82
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-4-(2,5-difluorophenyl)-3-methyl-1-(1-methylbenzimidazol-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136793670
(4R)-4-(5-bromo-2-fluorophenyl)-3-methyl-1-(1-methylbenzimidazol-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136793676
4-[(4S)-3-methyl-1-(1-methylbenzimidazol-2-yl)-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzonitrile
CID 136716304
(4R)-4-(2,5-difluorophenyl)-3-methyl-1-(6-oxo-1H-pyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135878816
(4R)-1-(6-chloropyridazin-3-yl)-4-(2,5-difluorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135953421
(4S)-1-(6-bromo-1,3-benzothiazol-2-yl)-4-(2,5-difluorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136793593
(4R)-1-(1,3-benzoxazol-2-yl)-4-(5-bromo-2-fluorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136793714
(4S)-4-(2,5-difluorophenyl)-3-methyl-1-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136916726
4-(2-fluorophenyl)-3-methyl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 137207598
(4R)-4-(2,5-difluorophenyl)-1-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136916827
4-(2,5-difluorophenyl)-1-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135594574
(4S)-1-(1,3-benzothiazol-2-yl)-4-(2-fluorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136871253

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-difluorophenyl)-3-methyl-1-(1-methylbenzimidazol-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 4-(2,5-difluorophenyl)-3-methyl-1-(1-methylbenzimidazol-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 135964896) is 4-(2,5-difluorophenyl)-3-methyl-1-(1-methylbenzimidazol-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 4-(2,5-difluorophenyl)-3-methyl-1-(1-methylbenzimidazol-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 4-(2,5-difluorophenyl)-3-methyl-1-(1-methylbenzimidazol-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is Cc1nn(-c2nc3ccccc3n2C)c2c1C(c1cc(F)ccc1F)CC(=O)N2.
What is the InChIKey of 4-(2,5-difluorophenyl)-3-methyl-1-(1-methylbenzimidazol-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is NTXUBAZJNPIMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N5O/c1-11-19-14(13-9-12(22)7-8-15(13)23)10-18(29)25-20(19)28(26-11)21-24-16-5-3-4-6-17(16)27(21)2/h3-9,14H,10H2,1-2H3,(H,25,29).
What are the key properties of 4-(2,5-difluorophenyl)-3-methyl-1-(1-methylbenzimidazol-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
4-(2,5-difluorophenyl)-3-methyl-1-(1-methylbenzimidazol-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 393.40 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-difluorophenyl)-3-methyl-1-(1-methylbenzimidazol-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135964896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).