2-pyridin-3-yl-5-[5-[5-(5-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyridine

C30H20N6 — CID 101019648

IUPAC2-pyridin-3-yl-5-[5-[5-(5-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyridine
SMILESc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6cccnc6)nc5)nc4)nc3)nc2)nc1
InChIInChI=1S/C30H20N6/c1-2-15-32-26(5-1)22-6-11-28(34-17-22)24-8-13-30(36-19-24)25-9-12-29(35-20-25)23-7-10-27(33-18-23)21-4-3-14-31-16-21/h1-20H
InChIKeyTWGVUUIZIBGIRK-UHFFFAOYSA-N
MW464.53 g/mol
LogP6.39
Rot. Bonds5

About 2-pyridin-3-yl-5-[5-[5-(5-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyridine

2-pyridin-3-yl-5-[5-[5-(5-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyridine (PubChem CID 101019648) has the molecular formula C30H20N6 and a molecular weight of 464.53 g/mol. Its IUPAC name is 2-pyridin-3-yl-5-[5-[5-(5-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyridine.

Molecular Properties

Compound Name2-pyridin-3-yl-5-[5-[5-(5-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyridine
PubChem CID101019648
Molecular FormulaC30H20N6
Molecular Weight464.53 g/mol
Exact Mass464.17
IUPAC Name2-pyridin-3-yl-5-[5-[5-(5-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyridine
SMILESc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6cccnc6)nc5)nc4)nc3)nc2)nc1
InChIInChI=1S/C30H20N6/c1-2-15-32-26(5-1)22-6-11-28(34-17-22)24-8-13-30(36-19-24)25-9-12-29(35-20-25)23-7-10-27(33-18-23)21-4-3-14-31-16-21/h1-20H
InChIKeyTWGVUUIZIBGIRK-UHFFFAOYSA-N
XLogP6.39
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.53
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-5-[5-[5-(5-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyridine?
The IUPAC name of 2-pyridin-3-yl-5-[5-[5-(5-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyridine (CID 101019648) is 2-pyridin-3-yl-5-[5-[5-(5-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyridine.
What is the SMILES notation for 2-pyridin-3-yl-5-[5-[5-(5-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyridine?
The canonical SMILES for 2-pyridin-3-yl-5-[5-[5-(5-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyridine is c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6cccnc6)nc5)nc4)nc3)nc2)nc1.
What is the InChIKey of 2-pyridin-3-yl-5-[5-[5-(5-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyridine?
The InChIKey is TWGVUUIZIBGIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20N6/c1-2-15-32-26(5-1)22-6-11-28(34-17-22)24-8-13-30(36-19-24)25-9-12-29(35-20-25)23-7-10-27(33-18-23)21-4-3-14-31-16-21/h1-20H.
What are the key properties of 2-pyridin-3-yl-5-[5-[5-(5-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyridine?
2-pyridin-3-yl-5-[5-[5-(5-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyridine has a molecular weight of 464.53 g/mol, XLogP of 6.39, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-5-[5-[5-(5-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyridine is sourced from PubChem (CID 101019648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).