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

C24H16N6 — CID 137116773

IUPAC4-pyridin-3-yl-2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-pyrrolo[2,3-c]pyridine
SMILESc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cccnc6)cncc5[nH]4)c3c2)c1
InChIInChI=1S/C24H16N6/c1-3-16(11-25-7-1)15-5-6-21-19(9-15)24(30-29-21)22-10-18-20(13-27-14-23(18)28-22)17-4-2-8-26-12-17/h1-14,28H,(H,29,30)
InChIKeyVAPXPHCKFPLRDU-UHFFFAOYSA-N
MW388.43 g/mol
LogP5.23
Rot. Bonds3

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

4-pyridin-3-yl-2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-pyrrolo[2,3-c]pyridine (PubChem CID 137116773) has the molecular formula C24H16N6 and a molecular weight of 388.43 g/mol. Its IUPAC name is 4-pyridin-3-yl-2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name4-pyridin-3-yl-2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-pyrrolo[2,3-c]pyridine
PubChem CID137116773
Molecular FormulaC24H16N6
Molecular Weight388.43 g/mol
Exact Mass388.14
IUPAC Name4-pyridin-3-yl-2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-pyrrolo[2,3-c]pyridine
SMILESc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cccnc6)cncc5[nH]4)c3c2)c1
InChIInChI=1S/C24H16N6/c1-3-16(11-25-7-1)15-5-6-21-19(9-15)24(30-29-21)22-10-18-20(13-27-14-23(18)28-22)17-4-2-8-26-12-17/h1-14,28H,(H,29,30)
InChIKeyVAPXPHCKFPLRDU-UHFFFAOYSA-N
XLogP5.23
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.43
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-pyridin-3-yl-2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-pyrrolo[2,3-c]pyridine?
The IUPAC name of 4-pyridin-3-yl-2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-pyrrolo[2,3-c]pyridine (CID 137116773) is 4-pyridin-3-yl-2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 4-pyridin-3-yl-2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-pyrrolo[2,3-c]pyridine?
The canonical SMILES for 4-pyridin-3-yl-2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-pyrrolo[2,3-c]pyridine is c1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cccnc6)cncc5[nH]4)c3c2)c1.
What is the InChIKey of 4-pyridin-3-yl-2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-pyrrolo[2,3-c]pyridine?
The InChIKey is VAPXPHCKFPLRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N6/c1-3-16(11-25-7-1)15-5-6-21-19(9-15)24(30-29-21)22-10-18-20(13-27-14-23(18)28-22)17-4-2-8-26-12-17/h1-14,28H,(H,29,30).
What are the key properties of 4-pyridin-3-yl-2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-pyrrolo[2,3-c]pyridine?
4-pyridin-3-yl-2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-pyrrolo[2,3-c]pyridine has a molecular weight of 388.43 g/mol, XLogP of 5.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-3-yl-2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 137116773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).