4-fluoro-3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine

C25H16F2N6 — CID 136942518

IUPAC4-fluoro-3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
SMILESCc1ccncc1-c1ncc2[nH]nc(-c3nc4c(-c5ccccc5F)cccc4[nH]3)c2c1F
InChIInChI=1S/C25H16F2N6/c1-13-9-10-28-11-16(13)23-21(27)20-19(12-29-23)32-33-24(20)25-30-18-8-4-6-15(22(18)31-25)14-5-2-3-7-17(14)26/h2-12H,1H3,(H,30,31)(H,32,33)
InChIKeyDUWQJRDUTJIBDN-UHFFFAOYSA-N
MW438.44 g/mol
LogP5.82
Rot. Bonds3

About 4-fluoro-3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine

4-fluoro-3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine (PubChem CID 136942518) has the molecular formula C25H16F2N6 and a molecular weight of 438.44 g/mol. Its IUPAC name is 4-fluoro-3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name4-fluoro-3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
PubChem CID136942518
Molecular FormulaC25H16F2N6
Molecular Weight438.44 g/mol
Exact Mass438.14
IUPAC Name4-fluoro-3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
SMILESCc1ccncc1-c1ncc2[nH]nc(-c3nc4c(-c5ccccc5F)cccc4[nH]3)c2c1F
InChIInChI=1S/C25H16F2N6/c1-13-9-10-28-11-16(13)23-21(27)20-19(12-29-23)32-33-24(20)25-30-18-8-4-6-15(22(18)31-25)14-5-2-3-7-17(14)26/h2-12H,1H3,(H,30,31)(H,32,33)
InChIKeyDUWQJRDUTJIBDN-UHFFFAOYSA-N
XLogP5.82
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.44
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-fluoro-3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine
CID 136942523
N-[[5-[4-fluoro-3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine
CID 136942512
4-fluoro-3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
CID 136942516
N-[5-[4-fluoro-3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide
CID 136942508
3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 136942925
4-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine
CID 136942818
3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridine
CID 137109052
2-[4-fluoro-5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-7-pyridin-2-yl-1H-imidazo[4,5-b]pyridine
CID 137135236
N-[3-fluoro-5-[2-(4-fluoro-5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-benzimidazol-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine
CID 136942876
2-[4-fluoro-5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridine
CID 136936554
N-[5-[4-fluoro-3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]butanamide
CID 136942550
N-[5-[4-fluoro-3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide
CID 136942586

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 4-fluoro-3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine (CID 136942518) is 4-fluoro-3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 4-fluoro-3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 4-fluoro-3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine is Cc1ccncc1-c1ncc2[nH]nc(-c3nc4c(-c5ccccc5F)cccc4[nH]3)c2c1F.
What is the InChIKey of 4-fluoro-3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is DUWQJRDUTJIBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16F2N6/c1-13-9-10-28-11-16(13)23-21(27)20-19(12-29-23)32-33-24(20)25-30-18-8-4-6-15(22(18)31-25)14-5-2-3-7-17(14)26/h2-12H,1H3,(H,30,31)(H,32,33).
What are the key properties of 4-fluoro-3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine?
4-fluoro-3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 438.44 g/mol, XLogP of 5.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 136942518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).