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

C25H16FN5 — CID 137283027

IUPAC3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-pyridin-2-yl-1H-indazole
SMILESFc1ccccc1-c1ccnc2[nH]c(-c3n[nH]c4ccc(-c5ccccn5)cc34)cc12
InChIInChI=1S/C25H16FN5/c26-20-6-2-1-5-17(20)16-10-12-28-25-18(16)14-23(29-25)24-19-13-15(8-9-22(19)30-31-24)21-7-3-4-11-27-21/h1-14H,(H,28,29)(H,30,31)
InChIKeyKWGIUITXBDAVOU-UHFFFAOYSA-N
MW405.44 g/mol
LogP5.97
Rot. Bonds3

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

3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-pyridin-2-yl-1H-indazole (PubChem CID 137283027) has the molecular formula C25H16FN5 and a molecular weight of 405.44 g/mol. Its IUPAC name is 3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-pyridin-2-yl-1H-indazole.

Molecular Properties

Compound Name3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-pyridin-2-yl-1H-indazole
PubChem CID137283027
Molecular FormulaC25H16FN5
Molecular Weight405.44 g/mol
Exact Mass405.14
IUPAC Name3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-pyridin-2-yl-1H-indazole
SMILESFc1ccccc1-c1ccnc2[nH]c(-c3n[nH]c4ccc(-c5ccccn5)cc34)cc12
InChIInChI=1S/C25H16FN5/c26-20-6-2-1-5-17(20)16-10-12-28-25-18(16)14-23(29-25)24-19-13-15(8-9-22(19)30-31-24)21-7-3-4-11-27-21/h1-14H,(H,28,29)(H,30,31)
InChIKeyKWGIUITXBDAVOU-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

3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-indazole
CID 137112165
3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(5-methyl-3-pyridinyl)-1H-indazole
CID 145254195
3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridine
CID 137111299
N-[5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide
CID 137111874
3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-pyridin-2-yl-1H-indazole
CID 137087181
N,N-dimethyl-5-[3-(4-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine
CID 137111530
N-[5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide
CID 137111482
N-(1-cyclopentylethenyl)-5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine
CID 137087237
N-(4,4-dimethylpent-1-en-2-yl)-5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine
CID 145254135
N-[5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide
CID 137112075
(Z)-N-ethenyl-2-[3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]but-2-en-1-imine
CID 137087435
3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]-1H-indazole
CID 137087094

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-pyridin-2-yl-1H-indazole?
The IUPAC name of 3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-pyridin-2-yl-1H-indazole (CID 137283027) is 3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-pyridin-2-yl-1H-indazole.
What is the SMILES notation for 3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-pyridin-2-yl-1H-indazole?
The canonical SMILES for 3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-pyridin-2-yl-1H-indazole is Fc1ccccc1-c1ccnc2[nH]c(-c3n[nH]c4ccc(-c5ccccn5)cc34)cc12.
What is the InChIKey of 3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-pyridin-2-yl-1H-indazole?
The InChIKey is KWGIUITXBDAVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16FN5/c26-20-6-2-1-5-17(20)16-10-12-28-25-18(16)14-23(29-25)24-19-13-15(8-9-22(19)30-31-24)21-7-3-4-11-27-21/h1-14H,(H,28,29)(H,30,31).
What are the key properties of 3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-pyridin-2-yl-1H-indazole?
3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-pyridin-2-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-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-pyridin-2-yl-1H-indazole is sourced from PubChem (CID 137283027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).