5-[(2-fluoro-4-pyridinyl)methyl]-5-(pyridin-4-ylmethyl)indeno[1,2-b]pyridine

C24H18FN3 — CID 10546928

IUPAC5-[(2-fluoro-4-pyridinyl)methyl]-5-(pyridin-4-ylmethyl)indeno[1,2-b]pyridine
SMILESFc1cc(CC2(Cc3ccncc3)c3ccccc3-c3ncccc32)ccn1
InChIInChI=1S/C24H18FN3/c25-22-14-18(9-13-27-22)16-24(15-17-7-11-26-12-8-17)20-5-2-1-4-19(20)23-21(24)6-3-10-28-23/h1-14H,15-16H2
InChIKeyVUKVRXKAIKFRQR-UHFFFAOYSA-N
MW367.43 g/mol
LogP4.76
Rot. Bonds4

About 5-[(2-fluoro-4-pyridinyl)methyl]-5-(pyridin-4-ylmethyl)indeno[1,2-b]pyridine

5-[(2-fluoro-4-pyridinyl)methyl]-5-(pyridin-4-ylmethyl)indeno[1,2-b]pyridine (PubChem CID 10546928) has the molecular formula C24H18FN3 and a molecular weight of 367.43 g/mol. Its IUPAC name is 5-[(2-fluoro-4-pyridinyl)methyl]-5-(pyridin-4-ylmethyl)indeno[1,2-b]pyridine.

Molecular Properties

Compound Name5-[(2-fluoro-4-pyridinyl)methyl]-5-(pyridin-4-ylmethyl)indeno[1,2-b]pyridine
PubChem CID10546928
Molecular FormulaC24H18FN3
Molecular Weight367.43 g/mol
Exact Mass367.15
IUPAC Name5-[(2-fluoro-4-pyridinyl)methyl]-5-(pyridin-4-ylmethyl)indeno[1,2-b]pyridine
SMILESFc1cc(CC2(Cc3ccncc3)c3ccccc3-c3ncccc32)ccn1
InChIInChI=1S/C24H18FN3/c25-22-14-18(9-13-27-22)16-24(15-17-7-11-26-12-8-17)20-5-2-1-4-19(20)23-21(24)6-3-10-28-23/h1-14H,15-16H2
InChIKeyVUKVRXKAIKFRQR-UHFFFAOYSA-N
XLogP4.76
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluoro-4-pyridinyl)methyl]-5-(pyridin-4-ylmethyl)indeno[1,2-b]pyridine?
The IUPAC name of 5-[(2-fluoro-4-pyridinyl)methyl]-5-(pyridin-4-ylmethyl)indeno[1,2-b]pyridine (CID 10546928) is 5-[(2-fluoro-4-pyridinyl)methyl]-5-(pyridin-4-ylmethyl)indeno[1,2-b]pyridine.
What is the SMILES notation for 5-[(2-fluoro-4-pyridinyl)methyl]-5-(pyridin-4-ylmethyl)indeno[1,2-b]pyridine?
The canonical SMILES for 5-[(2-fluoro-4-pyridinyl)methyl]-5-(pyridin-4-ylmethyl)indeno[1,2-b]pyridine is Fc1cc(CC2(Cc3ccncc3)c3ccccc3-c3ncccc32)ccn1.
What is the InChIKey of 5-[(2-fluoro-4-pyridinyl)methyl]-5-(pyridin-4-ylmethyl)indeno[1,2-b]pyridine?
The InChIKey is VUKVRXKAIKFRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN3/c25-22-14-18(9-13-27-22)16-24(15-17-7-11-26-12-8-17)20-5-2-1-4-19(20)23-21(24)6-3-10-28-23/h1-14H,15-16H2.
What are the key properties of 5-[(2-fluoro-4-pyridinyl)methyl]-5-(pyridin-4-ylmethyl)indeno[1,2-b]pyridine?
5-[(2-fluoro-4-pyridinyl)methyl]-5-(pyridin-4-ylmethyl)indeno[1,2-b]pyridine has a molecular weight of 367.43 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluoro-4-pyridinyl)methyl]-5-(pyridin-4-ylmethyl)indeno[1,2-b]pyridine is sourced from PubChem (CID 10546928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).