3-[4-(3-fluoro-5-methylphenyl)-1H-benzimidazol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[4,3-b]pyridine

C25H21FN6 — CID 145249460

IUPAC3-[4-(3-fluoro-5-methylphenyl)-1H-benzimidazol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[4,3-b]pyridine
SMILESCc1cc(F)cc(-c2cccc3[nH]c(-c4n[nH]c5ccc(C6=CCNCC6)nc45)nc23)c1
InChIInChI=1S/C25H21FN6/c1-14-11-16(13-17(26)12-14)18-3-2-4-20-22(18)30-25(29-20)24-23-21(31-32-24)6-5-19(28-23)15-7-9-27-10-8-15/h2-7,11-13,27H,8-10H2,1H3,(H,29,30)(H,31,32)
InChIKeyOFHSLFYRCJSOCW-UHFFFAOYSA-N
MW424.48 g/mol
LogP4.99
Rot. Bonds3

About 3-[4-(3-fluoro-5-methylphenyl)-1H-benzimidazol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[4,3-b]pyridine

3-[4-(3-fluoro-5-methylphenyl)-1H-benzimidazol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[4,3-b]pyridine (PubChem CID 145249460) has the molecular formula C25H21FN6 and a molecular weight of 424.48 g/mol. Its IUPAC name is 3-[4-(3-fluoro-5-methylphenyl)-1H-benzimidazol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[4,3-b]pyridine.

Molecular Properties

Compound Name3-[4-(3-fluoro-5-methylphenyl)-1H-benzimidazol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[4,3-b]pyridine
PubChem CID145249460
Molecular FormulaC25H21FN6
Molecular Weight424.48 g/mol
Exact Mass424.18
IUPAC Name3-[4-(3-fluoro-5-methylphenyl)-1H-benzimidazol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[4,3-b]pyridine
SMILESCc1cc(F)cc(-c2cccc3[nH]c(-c4n[nH]c5ccc(C6=CCNCC6)nc45)nc23)c1
InChIInChI=1S/C25H21FN6/c1-14-11-16(13-17(26)12-14)18-3-2-4-20-22(18)30-25(29-20)24-23-21(31-32-24)6-5-19(28-23)15-7-9-27-10-8-15/h2-7,11-13,27H,8-10H2,1H3,(H,29,30)(H,31,32)
InChIKeyOFHSLFYRCJSOCW-UHFFFAOYSA-N
XLogP4.99
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 54.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(3-methylphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137308932
N-[3-fluoro-5-[2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]-N',N'-dimethylethane-1,2-diamine
CID 137110375
N-[[3-fluoro-5-[2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]methyl]methanesulfonamide
CID 137110063
3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137109207
3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazole
CID 137308443
5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol
CID 137109495
3-[4-(3-fluoro-5-methoxyphenyl)-1H-benzimidazol-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridine
CID 137087522
3-[2-[5-[5-(dimethylamino)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-benzimidazol-4-yl]-5-fluorophenol
CID 137109461
3-[4-(3-methylphenyl)-1H-benzimidazol-2-yl]-5-piperidin-4-yl-1H-pyrazolo[4,3-b]pyridine
CID 145249415
3-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-benzimidazol-4-yl]-5-fluorophenol
CID 137109642
5-[3-[7-(3-fluoro-5-methylphenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol
CID 137308709
3-[4-(furan-3-yl)-1H-indol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137115043

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-fluoro-5-methylphenyl)-1H-benzimidazol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[4,3-b]pyridine?
The IUPAC name of 3-[4-(3-fluoro-5-methylphenyl)-1H-benzimidazol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[4,3-b]pyridine (CID 145249460) is 3-[4-(3-fluoro-5-methylphenyl)-1H-benzimidazol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[4,3-b]pyridine.
What is the SMILES notation for 3-[4-(3-fluoro-5-methylphenyl)-1H-benzimidazol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[4,3-b]pyridine?
The canonical SMILES for 3-[4-(3-fluoro-5-methylphenyl)-1H-benzimidazol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[4,3-b]pyridine is Cc1cc(F)cc(-c2cccc3[nH]c(-c4n[nH]c5ccc(C6=CCNCC6)nc45)nc23)c1.
What is the InChIKey of 3-[4-(3-fluoro-5-methylphenyl)-1H-benzimidazol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[4,3-b]pyridine?
The InChIKey is OFHSLFYRCJSOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN6/c1-14-11-16(13-17(26)12-14)18-3-2-4-20-22(18)30-25(29-20)24-23-21(31-32-24)6-5-19(28-23)15-7-9-27-10-8-15/h2-7,11-13,27H,8-10H2,1H3,(H,29,30)(H,31,32).
What are the key properties of 3-[4-(3-fluoro-5-methylphenyl)-1H-benzimidazol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[4,3-b]pyridine?
3-[4-(3-fluoro-5-methylphenyl)-1H-benzimidazol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[4,3-b]pyridine has a molecular weight of 424.48 g/mol, XLogP of 4.99, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-fluoro-5-methylphenyl)-1H-benzimidazol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 145249460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).