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

C24H15FN6O — CID 137117132

IUPAC5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-ol
SMILESOc1cncc(-c2cnc3n[nH]c(-c4cc5c(-c6ccc(F)cc6)ccnc5[nH]4)c3c2)c1
InChIInChI=1S/C24H15FN6O/c25-16-3-1-13(2-4-16)18-5-6-27-23-19(18)9-21(29-23)22-20-8-15(11-28-24(20)31-30-22)14-7-17(32)12-26-10-14/h1-12,32H,(H,27,29)(H,28,30,31)
InChIKeyKEUJOGNWQQGPMN-UHFFFAOYSA-N
MW422.42 g/mol
LogP5.07
Rot. Bonds3

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

5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-ol (PubChem CID 137117132) has the molecular formula C24H15FN6O and a molecular weight of 422.42 g/mol. Its IUPAC name is 5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-ol.

Molecular Properties

Compound Name5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-ol
PubChem CID137117132
Molecular FormulaC24H15FN6O
Molecular Weight422.42 g/mol
Exact Mass422.13
IUPAC Name5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-ol
SMILESOc1cncc(-c2cnc3n[nH]c(-c4cc5c(-c6ccc(F)cc6)ccnc5[nH]4)c3c2)c1
InChIInChI=1S/C24H15FN6O/c25-16-3-1-13(2-4-16)18-5-6-27-23-19(18)9-21(29-23)22-20-8-15(11-28-24(20)31-30-22)14-7-17(32)12-26-10-14/h1-12,32H,(H,27,29)(H,28,30,31)
InChIKeyKEUJOGNWQQGPMN-UHFFFAOYSA-N
XLogP5.07
TPSA103.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.42
LogP ≤ 55.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-ol?
The IUPAC name of 5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-ol (CID 137117132) is 5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-ol.
What is the SMILES notation for 5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-ol?
The canonical SMILES for 5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-ol is Oc1cncc(-c2cnc3n[nH]c(-c4cc5c(-c6ccc(F)cc6)ccnc5[nH]4)c3c2)c1.
What is the InChIKey of 5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-ol?
The InChIKey is KEUJOGNWQQGPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15FN6O/c25-16-3-1-13(2-4-16)18-5-6-27-23-19(18)9-21(29-23)22-20-8-15(11-28-24(20)31-30-22)14-7-17(32)12-26-10-14/h1-12,32H,(H,27,29)(H,28,30,31).
What are the key properties of 5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-ol?
5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-ol has a molecular weight of 422.42 g/mol, XLogP of 5.07, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-ol is sourced from PubChem (CID 137117132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).