6-bromo-4-[2-fluoro-5-[4-(piperidin-1-ylmethyl)phenyl]-3-pyridinyl]pyridin-3-amine

C22H22BrFN4 — CID 58266626

IUPAC6-bromo-4-[2-fluoro-5-[4-(piperidin-1-ylmethyl)phenyl]-3-pyridinyl]pyridin-3-amine
SMILESNc1cnc(Br)cc1-c1cc(-c2ccc(CN3CCCCC3)cc2)cnc1F
InChIInChI=1S/C22H22BrFN4/c23-21-11-18(20(25)13-26-21)19-10-17(12-27-22(19)24)16-6-4-15(5-7-16)14-28-8-2-1-3-9-28/h4-7,10-13H,1-3,8-9,14,25H2
InChIKeyTYZLEVPZAJOUQM-UHFFFAOYSA-N
MW441.35 g/mol
LogP5.28
Rot. Bonds4

About 6-bromo-4-[2-fluoro-5-[4-(piperidin-1-ylmethyl)phenyl]-3-pyridinyl]pyridin-3-amine

6-bromo-4-[2-fluoro-5-[4-(piperidin-1-ylmethyl)phenyl]-3-pyridinyl]pyridin-3-amine (PubChem CID 58266626) has the molecular formula C22H22BrFN4 and a molecular weight of 441.35 g/mol. Its IUPAC name is 6-bromo-4-[2-fluoro-5-[4-(piperidin-1-ylmethyl)phenyl]-3-pyridinyl]pyridin-3-amine.

Molecular Properties

Compound Name6-bromo-4-[2-fluoro-5-[4-(piperidin-1-ylmethyl)phenyl]-3-pyridinyl]pyridin-3-amine
PubChem CID58266626
Molecular FormulaC22H22BrFN4
Molecular Weight441.35 g/mol
Exact Mass440.10
IUPAC Name6-bromo-4-[2-fluoro-5-[4-(piperidin-1-ylmethyl)phenyl]-3-pyridinyl]pyridin-3-amine
SMILESNc1cnc(Br)cc1-c1cc(-c2ccc(CN3CCCCC3)cc2)cnc1F
InChIInChI=1S/C22H22BrFN4/c23-21-11-18(20(25)13-26-21)19-10-17(12-27-22(19)24)16-6-4-15(5-7-16)14-28-8-2-1-3-9-28/h4-7,10-13H,1-3,8-9,14,25H2
InChIKeyTYZLEVPZAJOUQM-UHFFFAOYSA-N
XLogP5.28
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.35
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 6-bromo-4-[2-fluoro-5-[4-(piperidin-1-ylmethyl)phenyl]-3-pyridinyl]pyridin-3-amine?
The IUPAC name of 6-bromo-4-[2-fluoro-5-[4-(piperidin-1-ylmethyl)phenyl]-3-pyridinyl]pyridin-3-amine (CID 58266626) is 6-bromo-4-[2-fluoro-5-[4-(piperidin-1-ylmethyl)phenyl]-3-pyridinyl]pyridin-3-amine.
What is the SMILES notation for 6-bromo-4-[2-fluoro-5-[4-(piperidin-1-ylmethyl)phenyl]-3-pyridinyl]pyridin-3-amine?
The canonical SMILES for 6-bromo-4-[2-fluoro-5-[4-(piperidin-1-ylmethyl)phenyl]-3-pyridinyl]pyridin-3-amine is Nc1cnc(Br)cc1-c1cc(-c2ccc(CN3CCCCC3)cc2)cnc1F.
What is the InChIKey of 6-bromo-4-[2-fluoro-5-[4-(piperidin-1-ylmethyl)phenyl]-3-pyridinyl]pyridin-3-amine?
The InChIKey is TYZLEVPZAJOUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22BrFN4/c23-21-11-18(20(25)13-26-21)19-10-17(12-27-22(19)24)16-6-4-15(5-7-16)14-28-8-2-1-3-9-28/h4-7,10-13H,1-3,8-9,14,25H2.
What are the key properties of 6-bromo-4-[2-fluoro-5-[4-(piperidin-1-ylmethyl)phenyl]-3-pyridinyl]pyridin-3-amine?
6-bromo-4-[2-fluoro-5-[4-(piperidin-1-ylmethyl)phenyl]-3-pyridinyl]pyridin-3-amine has a molecular weight of 441.35 g/mol, XLogP of 5.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-[2-fluoro-5-[4-(piperidin-1-ylmethyl)phenyl]-3-pyridinyl]pyridin-3-amine is sourced from PubChem (CID 58266626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).