[5-[4-chloro-3-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-(3-fluoro-2-pyridinyl)methanol

C24H15ClF2N4O — CID 25124235

IUPAC[5-[4-chloro-3-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-(3-fluoro-2-pyridinyl)methanol
SMILESOC(c1cncc(-c2cnc3[nH]cc(-c4ccc(F)cc4)c3c2Cl)c1)c1ncccc1F
InChIInChI=1S/C24H15ClF2N4O/c25-21-18(12-31-24-20(21)17(11-30-24)13-3-5-16(26)6-4-13)14-8-15(10-28-9-14)23(32)22-19(27)2-1-7-29-22/h1-12,23,32H,(H,30,31)
InChIKeyZZWUCBQGYBGEBX-UHFFFAOYSA-N
MW448.86 g/mol
LogP5.70
Rot. Bonds4

About [5-[4-chloro-3-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-(3-fluoro-2-pyridinyl)methanol

[5-[4-chloro-3-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-(3-fluoro-2-pyridinyl)methanol (PubChem CID 25124235) has the molecular formula C24H15ClF2N4O and a molecular weight of 448.86 g/mol. Its IUPAC name is [5-[4-chloro-3-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-(3-fluoro-2-pyridinyl)methanol.

Molecular Properties

Compound Name[5-[4-chloro-3-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-(3-fluoro-2-pyridinyl)methanol
PubChem CID25124235
Molecular FormulaC24H15ClF2N4O
Molecular Weight448.86 g/mol
Exact Mass448.09
IUPAC Name[5-[4-chloro-3-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-(3-fluoro-2-pyridinyl)methanol
SMILESOC(c1cncc(-c2cnc3[nH]cc(-c4ccc(F)cc4)c3c2Cl)c1)c1ncccc1F
InChIInChI=1S/C24H15ClF2N4O/c25-21-18(12-31-24-20(21)17(11-30-24)13-3-5-16(26)6-4-13)14-8-15(10-28-9-14)23(32)22-19(27)2-1-7-29-22/h1-12,23,32H,(H,30,31)
InChIKeyZZWUCBQGYBGEBX-UHFFFAOYSA-N
XLogP5.70
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.86
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-[4-chloro-3-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-(3-fluoro-2-pyridinyl)methanol?
The IUPAC name of [5-[4-chloro-3-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-(3-fluoro-2-pyridinyl)methanol (CID 25124235) is [5-[4-chloro-3-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-(3-fluoro-2-pyridinyl)methanol.
What is the SMILES notation for [5-[4-chloro-3-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-(3-fluoro-2-pyridinyl)methanol?
The canonical SMILES for [5-[4-chloro-3-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-(3-fluoro-2-pyridinyl)methanol is OC(c1cncc(-c2cnc3[nH]cc(-c4ccc(F)cc4)c3c2Cl)c1)c1ncccc1F.
What is the InChIKey of [5-[4-chloro-3-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-(3-fluoro-2-pyridinyl)methanol?
The InChIKey is ZZWUCBQGYBGEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15ClF2N4O/c25-21-18(12-31-24-20(21)17(11-30-24)13-3-5-16(26)6-4-13)14-8-15(10-28-9-14)23(32)22-19(27)2-1-7-29-22/h1-12,23,32H,(H,30,31).
What are the key properties of [5-[4-chloro-3-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-(3-fluoro-2-pyridinyl)methanol?
[5-[4-chloro-3-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-(3-fluoro-2-pyridinyl)methanol has a molecular weight of 448.86 g/mol, XLogP of 5.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-chloro-3-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-(3-fluoro-2-pyridinyl)methanol is sourced from PubChem (CID 25124235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).