2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazol-3-yl]-4-(2-fluorophenyl)-1H-indole

C22H18FN5 — CID 137113965

IUPAC2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazol-3-yl]-4-(2-fluorophenyl)-1H-indole
SMILESCc1ncc(-c2cc(-c3cc4c(-c5ccccc5F)cccc4[nH]3)n[nH]2)n1C
InChIInChI=1S/C22H18FN5/c1-13-24-12-22(28(13)2)21-11-20(26-27-21)19-10-16-14(7-5-9-18(16)25-19)15-6-3-4-8-17(15)23/h3-12,25H,1-2H3,(H,26,27)
InChIKeyXBDWMAMEMDNOFC-UHFFFAOYSA-N
MW371.42 g/mol
LogP5.07
Rot. Bonds3

About 2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazol-3-yl]-4-(2-fluorophenyl)-1H-indole

2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazol-3-yl]-4-(2-fluorophenyl)-1H-indole (PubChem CID 137113965) has the molecular formula C22H18FN5 and a molecular weight of 371.42 g/mol. Its IUPAC name is 2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazol-3-yl]-4-(2-fluorophenyl)-1H-indole.

Molecular Properties

Compound Name2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazol-3-yl]-4-(2-fluorophenyl)-1H-indole
PubChem CID137113965
Molecular FormulaC22H18FN5
Molecular Weight371.42 g/mol
Exact Mass371.15
IUPAC Name2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazol-3-yl]-4-(2-fluorophenyl)-1H-indole
SMILESCc1ncc(-c2cc(-c3cc4c(-c5ccccc5F)cccc4[nH]3)n[nH]2)n1C
InChIInChI=1S/C22H18FN5/c1-13-24-12-22(28(13)2)21-11-20(26-27-21)19-10-16-14(7-5-9-18(16)25-19)15-6-3-4-8-17(15)23/h3-12,25H,1-2H3,(H,26,27)
InChIKeyXBDWMAMEMDNOFC-UHFFFAOYSA-N
XLogP5.07
TPSA62.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.42
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,3-dimethylimidazol-4-yl)-3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1H-indazole
CID 137115814
5-(2,3-dimethylimidazol-4-yl)-3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridine
CID 137311707
5-(2,3-dimethylimidazol-4-yl)-3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridine
CID 137369492
5-(2,3-dimethylimidazol-4-yl)-3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridine
CID 137284149
2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazol-3-yl]-4-(furan-3-yl)-1H-benzimidazole
CID 137109031
3-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]-5-fluorophenol
CID 137115031
N-[[3-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-1H-indol-4-yl]-5-fluorophenyl]methyl]methanesulfonamide
CID 137310724
5-(2,3-dimethylimidazol-4-yl)-3-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridine
CID 137311316
5-(2,3-dimethylimidazol-4-yl)-3-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridine
CID 137112402
4-fluoro-2-(6-methylpyrazin-2-yl)-1H-indole
CID 144766338
2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridine
CID 137114172
5-(2,3-dimethylimidazol-4-yl)-3-(4-pyridin-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137112372

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazol-3-yl]-4-(2-fluorophenyl)-1H-indole?
The IUPAC name of 2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazol-3-yl]-4-(2-fluorophenyl)-1H-indole (CID 137113965) is 2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazol-3-yl]-4-(2-fluorophenyl)-1H-indole.
What is the SMILES notation for 2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazol-3-yl]-4-(2-fluorophenyl)-1H-indole?
The canonical SMILES for 2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazol-3-yl]-4-(2-fluorophenyl)-1H-indole is Cc1ncc(-c2cc(-c3cc4c(-c5ccccc5F)cccc4[nH]3)n[nH]2)n1C.
What is the InChIKey of 2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazol-3-yl]-4-(2-fluorophenyl)-1H-indole?
The InChIKey is XBDWMAMEMDNOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5/c1-13-24-12-22(28(13)2)21-11-20(26-27-21)19-10-16-14(7-5-9-18(16)25-19)15-6-3-4-8-17(15)23/h3-12,25H,1-2H3,(H,26,27).
What are the key properties of 2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazol-3-yl]-4-(2-fluorophenyl)-1H-indole?
2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazol-3-yl]-4-(2-fluorophenyl)-1H-indole has a molecular weight of 371.42 g/mol, XLogP of 5.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazol-3-yl]-4-(2-fluorophenyl)-1H-indole is sourced from PubChem (CID 137113965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).