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

C24H15FN6 — CID 137114151

IUPAC3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-indazole
SMILESFc1ccc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncnc6)cc45)cc23)cc1
InChIInChI=1S/C24H15FN6/c25-17-4-1-14(2-5-17)23-19-10-22(29-20(19)7-8-28-23)24-18-9-15(3-6-21(18)30-31-24)16-11-26-13-27-12-16/h1-13,29H,(H,30,31)
InChIKeyDHENWSMLVVKEIM-UHFFFAOYSA-N
MW406.42 g/mol
LogP5.37
Rot. Bonds3

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

3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-indazole (PubChem CID 137114151) has the molecular formula C24H15FN6 and a molecular weight of 406.42 g/mol. Its IUPAC name is 3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-indazole.

Molecular Properties

Compound Name3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-indazole
PubChem CID137114151
Molecular FormulaC24H15FN6
Molecular Weight406.42 g/mol
Exact Mass406.13
IUPAC Name3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-indazole
SMILESFc1ccc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncnc6)cc45)cc23)cc1
InChIInChI=1S/C24H15FN6/c25-17-4-1-14(2-5-17)23-19-10-22(29-20(19)7-8-28-23)24-18-9-15(3-6-21(18)30-31-24)16-11-26-13-27-12-16/h1-13,29H,(H,30,31)
InChIKeyDHENWSMLVVKEIM-UHFFFAOYSA-N
XLogP5.37
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.42
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-indazole
CID 137313369
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-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyrazin-2-yl-1H-pyrazolo[4,3-b]pyridine
CID 137040161
3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyridin-4-yl-1H-indazole
CID 137114012
5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-N,N-dimethylpyridin-3-amine
CID 137114147
3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyridin-3-yl-1H-indazole
CID 137114237
5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine
CID 137313016
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
5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol
CID 137114145
3-(4-pyridin-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-5-pyrimidin-5-yl-1H-indazole
CID 137087926
2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridine
CID 137312805
3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine
CID 137111021

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-indazole?
The IUPAC name of 3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-indazole (CID 137114151) is 3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-indazole.
What is the SMILES notation for 3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-indazole?
The canonical SMILES for 3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-indazole is Fc1ccc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncnc6)cc45)cc23)cc1.
What is the InChIKey of 3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-indazole?
The InChIKey is DHENWSMLVVKEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15FN6/c25-17-4-1-14(2-5-17)23-19-10-22(29-20(19)7-8-28-23)24-18-9-15(3-6-21(18)30-31-24)16-11-26-13-27-12-16/h1-13,29H,(H,30,31).
What are the key properties of 3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-indazole?
3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-indazole has a molecular weight of 406.42 g/mol, XLogP of 5.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-indazole is sourced from PubChem (CID 137114151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).