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

C24H15FN6 — CID 137040033

IUPAC3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridine
SMILESFc1cccc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cccnc6)nc45)cc23)c1
InChIInChI=1S/C24H15FN6/c25-16-5-1-3-14(11-16)22-17-12-21(28-19(17)8-10-27-22)24-23-20(30-31-24)7-6-18(29-23)15-4-2-9-26-13-15/h1-13,28H,(H,30,31)
InChIKeyGMDIFHMFBSHWIB-UHFFFAOYSA-N
MW406.42 g/mol
LogP5.37
Rot. Bonds3

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

3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridine (PubChem CID 137040033) has the molecular formula C24H15FN6 and a molecular weight of 406.42 g/mol. Its IUPAC name is 3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridine.

Molecular Properties

Compound Name3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridine
PubChem CID137040033
Molecular FormulaC24H15FN6
Molecular Weight406.42 g/mol
Exact Mass406.13
IUPAC Name3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridine
SMILESFc1cccc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cccnc6)nc45)cc23)c1
InChIInChI=1S/C24H15FN6/c25-16-5-1-3-14(11-16)22-17-12-21(28-19(17)8-10-27-22)24-23-20(30-31-24)7-6-18(29-23)15-4-2-9-26-13-15/h1-13,28H,(H,30,31)
InChIKeyGMDIFHMFBSHWIB-UHFFFAOYSA-N
XLogP5.37
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.42
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridine?
The IUPAC name of 3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridine (CID 137040033) is 3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridine.
What is the SMILES notation for 3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridine?
The canonical SMILES for 3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridine is Fc1cccc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cccnc6)nc45)cc23)c1.
What is the InChIKey of 3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridine?
The InChIKey is GMDIFHMFBSHWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15FN6/c25-16-5-1-3-14(11-16)22-17-12-21(28-19(17)8-10-27-22)24-23-20(30-31-24)7-6-18(29-23)15-4-2-9-26-13-15/h1-13,28H,(H,30,31).
What are the key properties of 3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridine?
3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridine has a molecular weight of 406.42 g/mol, XLogP of 5.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 137040033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).