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

C20H12ClF2N5O — CID 137010608

IUPAC7-chloro-1-(2,6-difluorophenyl)-3-(1-methylbenzimidazol-5-yl)-5H-pyrazolo[4,5-c]pyridin-4-one
SMILESCn1cnc2cc(-c3nn(-c4c(F)cccc4F)c4c(Cl)c[nH]c(=O)c34)ccc21
InChIInChI=1S/C20H12ClF2N5O/c1-27-9-25-14-7-10(5-6-15(14)27)17-16-18(11(21)8-24-20(16)29)28(26-17)19-12(22)3-2-4-13(19)23/h2-9H,1H3,(H,24,29)
InChIKeySKRMTTWDNKLYFZ-UHFFFAOYSA-N
MW411.80 g/mol
LogP4.20
Rot. Bonds2

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

7-chloro-1-(2,6-difluorophenyl)-3-(1-methylbenzimidazol-5-yl)-5H-pyrazolo[4,5-c]pyridin-4-one (PubChem CID 137010608) has the molecular formula C20H12ClF2N5O and a molecular weight of 411.80 g/mol. Its IUPAC name is 7-chloro-1-(2,6-difluorophenyl)-3-(1-methylbenzimidazol-5-yl)-5H-pyrazolo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name7-chloro-1-(2,6-difluorophenyl)-3-(1-methylbenzimidazol-5-yl)-5H-pyrazolo[4,5-c]pyridin-4-one
PubChem CID137010608
Molecular FormulaC20H12ClF2N5O
Molecular Weight411.80 g/mol
Exact Mass411.07
IUPAC Name7-chloro-1-(2,6-difluorophenyl)-3-(1-methylbenzimidazol-5-yl)-5H-pyrazolo[4,5-c]pyridin-4-one
SMILESCn1cnc2cc(-c3nn(-c4c(F)cccc4F)c4c(Cl)c[nH]c(=O)c34)ccc21
InChIInChI=1S/C20H12ClF2N5O/c1-27-9-25-14-7-10(5-6-15(14)27)17-16-18(11(21)8-24-20(16)29)28(26-17)19-12(22)3-2-4-13(19)23/h2-9H,1H3,(H,24,29)
InChIKeySKRMTTWDNKLYFZ-UHFFFAOYSA-N
XLogP4.20
TPSA68.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.80
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[7-chloro-1-(2,6-difluorophenyl)-4-oxo-5H-pyrazolo[4,5-c]pyridin-3-yl]benzamide
CID 137010651
7-chloro-1-(2,6-difluorophenyl)-3-[4-[2-methoxyethyl(methyl)amino]phenyl]-5H-pyrazolo[4,5-c]pyridin-4-one
CID 137010640
2-fluoro-4-(1-methylbenzimidazol-5-yl)benzaldehyde
CID 59474411
4-[4-[1-(2,6-difluorophenyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]morpholin-3-one
CID 137010718
N-[2-fluoro-4-[2-hydroxy-3-(1-methylbenzimidazol-5-yl)phenyl]phenyl]acetamide
CID 166167429
3-(1-methylbenzimidazol-5-yl)benzaldehyde
CID 59474450
6-(5-chloro-2-fluoro-4-pyridinyl)-1-methylbenzimidazole
CID 90413587
6-chloro-3-methyl-4H-imidazo[4,5-b]pyridin-5-one
CID 156848171
(1-methylbenzimidazol-5-yl) 2-fluorobenzenesulfonate
CID 90538347
4-(1-methylbenzimidazol-5-yl)-1,2,5-oxadiazol-3-amine
CID 95991204
1-(4-amino-2,6-difluorophenyl)-3-(4-sulfanylphenyl)-5H-pyrazolo[4,3-c]pyridin-4-one
CID 136949922
2-[2-bromo-4-(1-methylbenzimidazol-5-yl)-1H-imidazol-5-yl]ethanamine
CID 84604064

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(2,6-difluorophenyl)-3-(1-methylbenzimidazol-5-yl)-5H-pyrazolo[4,5-c]pyridin-4-one?
The IUPAC name of 7-chloro-1-(2,6-difluorophenyl)-3-(1-methylbenzimidazol-5-yl)-5H-pyrazolo[4,5-c]pyridin-4-one (CID 137010608) is 7-chloro-1-(2,6-difluorophenyl)-3-(1-methylbenzimidazol-5-yl)-5H-pyrazolo[4,5-c]pyridin-4-one.
What is the SMILES notation for 7-chloro-1-(2,6-difluorophenyl)-3-(1-methylbenzimidazol-5-yl)-5H-pyrazolo[4,5-c]pyridin-4-one?
The canonical SMILES for 7-chloro-1-(2,6-difluorophenyl)-3-(1-methylbenzimidazol-5-yl)-5H-pyrazolo[4,5-c]pyridin-4-one is Cn1cnc2cc(-c3nn(-c4c(F)cccc4F)c4c(Cl)c[nH]c(=O)c34)ccc21.
What is the InChIKey of 7-chloro-1-(2,6-difluorophenyl)-3-(1-methylbenzimidazol-5-yl)-5H-pyrazolo[4,5-c]pyridin-4-one?
The InChIKey is SKRMTTWDNKLYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClF2N5O/c1-27-9-25-14-7-10(5-6-15(14)27)17-16-18(11(21)8-24-20(16)29)28(26-17)19-12(22)3-2-4-13(19)23/h2-9H,1H3,(H,24,29).
What are the key properties of 7-chloro-1-(2,6-difluorophenyl)-3-(1-methylbenzimidazol-5-yl)-5H-pyrazolo[4,5-c]pyridin-4-one?
7-chloro-1-(2,6-difluorophenyl)-3-(1-methylbenzimidazol-5-yl)-5H-pyrazolo[4,5-c]pyridin-4-one has a molecular weight of 411.80 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(2,6-difluorophenyl)-3-(1-methylbenzimidazol-5-yl)-5H-pyrazolo[4,5-c]pyridin-4-one is sourced from PubChem (CID 137010608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).