3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyridin-4-yl-1H-indazole

C25H16FN5 — CID 137114012

IUPAC3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyridin-4-yl-1H-indazole
SMILESFc1cccc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6ccncc6)cc45)cc23)c1
InChIInChI=1S/C25H16FN5/c26-18-3-1-2-17(12-18)24-20-14-23(29-21(20)8-11-28-24)25-19-13-16(4-5-22(19)30-31-25)15-6-9-27-10-7-15/h1-14,29H,(H,30,31)
InChIKeyDLFLFUWVKSNGMJ-UHFFFAOYSA-N
MW405.44 g/mol
LogP5.97
Rot. Bonds3

About 3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyridin-4-yl-1H-indazole

3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyridin-4-yl-1H-indazole (PubChem CID 137114012) has the molecular formula C25H16FN5 and a molecular weight of 405.44 g/mol. Its IUPAC name is 3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyridin-4-yl-1H-indazole.

Molecular Properties

Compound Name3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyridin-4-yl-1H-indazole
PubChem CID137114012
Molecular FormulaC25H16FN5
Molecular Weight405.44 g/mol
Exact Mass405.14
IUPAC Name3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyridin-4-yl-1H-indazole
SMILESFc1cccc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6ccncc6)cc45)cc23)c1
InChIInChI=1S/C25H16FN5/c26-18-3-1-2-17(12-18)24-20-14-23(29-21(20)8-11-28-24)25-19-13-16(4-5-22(19)30-31-25)15-6-9-27-10-7-15/h1-14,29H,(H,30,31)
InChIKeyDLFLFUWVKSNGMJ-UHFFFAOYSA-N
XLogP5.97
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.44
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-N,N-dimethylpyridin-3-amine
CID 137114147
2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridine
CID 137312805
3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-indazole
CID 137114151
N-[5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide
CID 137312871
3-[4-(3-fluoro-5-methylphenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(5-methyl-3-pyridinyl)-1H-indazole
CID 145252101
3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-indazole
CID 137117097
3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-indazole
CID 137313369
3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyridin-3-yl-1H-indazole
CID 137114237
3-[4-(3-fluorophenyl)-1H-indol-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-indazole
CID 137310690
5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol
CID 137111858
2-[5-[(2E,4Z)-5-ethylhepta-2,4,6-trien-3-yl]-1H-indazol-3-yl]-4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridine
CID 145252154
N,N-dimethyl-5-[3-(4-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine
CID 137087139

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyridin-4-yl-1H-indazole?
The IUPAC name of 3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyridin-4-yl-1H-indazole (CID 137114012) is 3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyridin-4-yl-1H-indazole.
What is the SMILES notation for 3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyridin-4-yl-1H-indazole?
The canonical SMILES for 3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyridin-4-yl-1H-indazole is Fc1cccc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6ccncc6)cc45)cc23)c1.
What is the InChIKey of 3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyridin-4-yl-1H-indazole?
The InChIKey is DLFLFUWVKSNGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16FN5/c26-18-3-1-2-17(12-18)24-20-14-23(29-21(20)8-11-28-24)25-19-13-16(4-5-22(19)30-31-25)15-6-9-27-10-7-15/h1-14,29H,(H,30,31).
What are the key properties of 3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyridin-4-yl-1H-indazole?
3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyridin-4-yl-1H-indazole has a molecular weight of 405.44 g/mol, XLogP of 5.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyridin-4-yl-1H-indazole is sourced from PubChem (CID 137114012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).