4-[2-(4-fluorophenyl)-5-[1-[(1-methylazetidin-2-yl)methyl]piperidin-4-yl]-1H-pyrrol-3-yl]pyridine

C25H29FN4 — CID 22958973

IUPAC4-[2-(4-fluorophenyl)-5-[1-[(1-methylazetidin-2-yl)methyl]piperidin-4-yl]-1H-pyrrol-3-yl]pyridine
SMILESCN1CCC1CN1CCC(c2cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)CC1
InChIInChI=1S/C25H29FN4/c1-29-13-10-22(29)17-30-14-8-19(9-15-30)24-16-23(18-6-11-27-12-7-18)25(28-24)20-2-4-21(26)5-3-20/h2-7,11-12,16,19,22,28H,8-10,13-15,17H2,1H3
InChIKeyQFQVLHOXSAWMLL-UHFFFAOYSA-N
MW404.53 g/mol
LogP4.77
Rot. Bonds5

About 4-[2-(4-fluorophenyl)-5-[1-[(1-methylazetidin-2-yl)methyl]piperidin-4-yl]-1H-pyrrol-3-yl]pyridine

4-[2-(4-fluorophenyl)-5-[1-[(1-methylazetidin-2-yl)methyl]piperidin-4-yl]-1H-pyrrol-3-yl]pyridine (PubChem CID 22958973) has the molecular formula C25H29FN4 and a molecular weight of 404.53 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)-5-[1-[(1-methylazetidin-2-yl)methyl]piperidin-4-yl]-1H-pyrrol-3-yl]pyridine.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)-5-[1-[(1-methylazetidin-2-yl)methyl]piperidin-4-yl]-1H-pyrrol-3-yl]pyridine
PubChem CID22958973
Molecular FormulaC25H29FN4
Molecular Weight404.53 g/mol
Exact Mass404.24
IUPAC Name4-[2-(4-fluorophenyl)-5-[1-[(1-methylazetidin-2-yl)methyl]piperidin-4-yl]-1H-pyrrol-3-yl]pyridine
SMILESCN1CCC1CN1CCC(c2cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)CC1
InChIInChI=1S/C25H29FN4/c1-29-13-10-22(29)17-30-14-8-19(9-15-30)24-16-23(18-6-11-27-12-7-18)25(28-24)20-2-4-21(26)5-3-20/h2-7,11-12,16,19,22,28H,8-10,13-15,17H2,1H3
InChIKeyQFQVLHOXSAWMLL-UHFFFAOYSA-N
XLogP4.77
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)-5-[1-[(1-methylazetidin-2-yl)methyl]piperidin-4-yl]-1H-pyrrol-3-yl]pyridine?
The IUPAC name of 4-[2-(4-fluorophenyl)-5-[1-[(1-methylazetidin-2-yl)methyl]piperidin-4-yl]-1H-pyrrol-3-yl]pyridine (CID 22958973) is 4-[2-(4-fluorophenyl)-5-[1-[(1-methylazetidin-2-yl)methyl]piperidin-4-yl]-1H-pyrrol-3-yl]pyridine.
What is the SMILES notation for 4-[2-(4-fluorophenyl)-5-[1-[(1-methylazetidin-2-yl)methyl]piperidin-4-yl]-1H-pyrrol-3-yl]pyridine?
The canonical SMILES for 4-[2-(4-fluorophenyl)-5-[1-[(1-methylazetidin-2-yl)methyl]piperidin-4-yl]-1H-pyrrol-3-yl]pyridine is CN1CCC1CN1CCC(c2cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)CC1.
What is the InChIKey of 4-[2-(4-fluorophenyl)-5-[1-[(1-methylazetidin-2-yl)methyl]piperidin-4-yl]-1H-pyrrol-3-yl]pyridine?
The InChIKey is QFQVLHOXSAWMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4/c1-29-13-10-22(29)17-30-14-8-19(9-15-30)24-16-23(18-6-11-27-12-7-18)25(28-24)20-2-4-21(26)5-3-20/h2-7,11-12,16,19,22,28H,8-10,13-15,17H2,1H3.
What are the key properties of 4-[2-(4-fluorophenyl)-5-[1-[(1-methylazetidin-2-yl)methyl]piperidin-4-yl]-1H-pyrrol-3-yl]pyridine?
4-[2-(4-fluorophenyl)-5-[1-[(1-methylazetidin-2-yl)methyl]piperidin-4-yl]-1H-pyrrol-3-yl]pyridine has a molecular weight of 404.53 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)-5-[1-[(1-methylazetidin-2-yl)methyl]piperidin-4-yl]-1H-pyrrol-3-yl]pyridine is sourced from PubChem (CID 22958973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).