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

C24H15FN6O — CID 137039148

IUPAC5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol
SMILESOc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cccc(F)c6)nccc5[nH]4)c3n2)c1
InChIInChI=1S/C24H15FN6O/c25-15-3-1-2-13(8-15)22-17-10-21(28-19(17)6-7-27-22)24-23-20(30-31-24)5-4-18(29-23)14-9-16(32)12-26-11-14/h1-12,28,32H,(H,30,31)
InChIKeyCEUJTEYQNVHPGR-UHFFFAOYSA-N
MW422.42 g/mol
LogP5.07
Rot. Bonds3

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

5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol (PubChem CID 137039148) has the molecular formula C24H15FN6O and a molecular weight of 422.42 g/mol. Its IUPAC name is 5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol.

Molecular Properties

Compound Name5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol
PubChem CID137039148
Molecular FormulaC24H15FN6O
Molecular Weight422.42 g/mol
Exact Mass422.13
IUPAC Name5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol
SMILESOc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cccc(F)c6)nccc5[nH]4)c3n2)c1
InChIInChI=1S/C24H15FN6O/c25-15-3-1-2-13(8-15)22-17-10-21(28-19(17)6-7-27-22)24-23-20(30-31-24)5-4-18(29-23)14-9-16(32)12-26-11-14/h1-12,28,32H,(H,30,31)
InChIKeyCEUJTEYQNVHPGR-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-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol?
The IUPAC name of 5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol (CID 137039148) is 5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol.
What is the SMILES notation for 5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol?
The canonical SMILES for 5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol is Oc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cccc(F)c6)nccc5[nH]4)c3n2)c1.
What is the InChIKey of 5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol?
The InChIKey is CEUJTEYQNVHPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15FN6O/c25-15-3-1-2-13(8-15)22-17-10-21(28-19(17)6-7-27-22)24-23-20(30-31-24)5-4-18(29-23)14-9-16(32)12-26-11-14/h1-12,28,32H,(H,30,31).
What are the key properties of 5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol?
5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-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-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol is sourced from PubChem (CID 137039148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).