2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)ethanone

C21H17FN4O — CID 147121441

IUPAC2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)ethanone
SMILESO=C(Cc1cnc2[nH]c(-c3ccc(F)cc3)cc2c1)c1n[nH]c2c1CCC2
InChIInChI=1S/C21H17FN4O/c22-15-6-4-13(5-7-15)18-10-14-8-12(11-23-21(14)24-18)9-19(27)20-16-2-1-3-17(16)25-26-20/h4-8,10-11H,1-3,9H2,(H,23,24)(H,25,26)
InChIKeyBOKZKHJIVIOHOL-UHFFFAOYSA-N
MW360.39 g/mol
LogP4.01
Rot. Bonds4

About 2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)ethanone

2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)ethanone (PubChem CID 147121441) has the molecular formula C21H17FN4O and a molecular weight of 360.39 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)ethanone.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)ethanone
PubChem CID147121441
Molecular FormulaC21H17FN4O
Molecular Weight360.39 g/mol
Exact Mass360.14
IUPAC Name2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)ethanone
SMILESO=C(Cc1cnc2[nH]c(-c3ccc(F)cc3)cc2c1)c1n[nH]c2c1CCC2
InChIInChI=1S/C21H17FN4O/c22-15-6-4-13(5-7-15)18-10-14-8-12(11-23-21(14)24-18)9-19(27)20-16-2-1-3-17(16)25-26-20/h4-8,10-11H,1-3,9H2,(H,23,24)(H,25,26)
InChIKeyBOKZKHJIVIOHOL-UHFFFAOYSA-N
XLogP4.01
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)ethanone?
The IUPAC name of 2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)ethanone (CID 147121441) is 2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)ethanone.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)ethanone?
The canonical SMILES for 2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)ethanone is O=C(Cc1cnc2[nH]c(-c3ccc(F)cc3)cc2c1)c1n[nH]c2c1CCC2.
What is the InChIKey of 2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)ethanone?
The InChIKey is BOKZKHJIVIOHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O/c22-15-6-4-13(5-7-15)18-10-14-8-12(11-23-21(14)24-18)9-19(27)20-16-2-1-3-17(16)25-26-20/h4-8,10-11H,1-3,9H2,(H,23,24)(H,25,26).
What are the key properties of 2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)ethanone?
2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)ethanone has a molecular weight of 360.39 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)ethanone is sourced from PubChem (CID 147121441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).