[6-[(2-chloro-4-fluorophenyl)methyl]-3-piperidin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine

C20H22ClFN4 — CID 143550666

IUPAC[6-[(2-chloro-4-fluorophenyl)methyl]-3-piperidin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine
SMILESNCc1cc2ncc(N3CCCCC3)n2cc1Cc1ccc(F)cc1Cl
InChIInChI=1S/C20H22ClFN4/c21-18-10-17(22)5-4-14(18)8-16-13-26-19(9-15(16)11-23)24-12-20(26)25-6-2-1-3-7-25/h4-5,9-10,12-13H,1-3,6-8,11,23H2
InChIKeyXPCLSCCLFJYYDS-UHFFFAOYSA-N
MW372.88 g/mol
LogP4.17
Rot. Bonds4

About [6-[(2-chloro-4-fluorophenyl)methyl]-3-piperidin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine

[6-[(2-chloro-4-fluorophenyl)methyl]-3-piperidin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine (PubChem CID 143550666) has the molecular formula C20H22ClFN4 and a molecular weight of 372.88 g/mol. Its IUPAC name is [6-[(2-chloro-4-fluorophenyl)methyl]-3-piperidin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine.

Molecular Properties

Compound Name[6-[(2-chloro-4-fluorophenyl)methyl]-3-piperidin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine
PubChem CID143550666
Molecular FormulaC20H22ClFN4
Molecular Weight372.88 g/mol
Exact Mass372.15
IUPAC Name[6-[(2-chloro-4-fluorophenyl)methyl]-3-piperidin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine
SMILESNCc1cc2ncc(N3CCCCC3)n2cc1Cc1ccc(F)cc1Cl
InChIInChI=1S/C20H22ClFN4/c21-18-10-17(22)5-4-14(18)8-16-13-26-19(9-15(16)11-23)24-12-20(26)25-6-2-1-3-7-25/h4-5,9-10,12-13H,1-3,6-8,11,23H2
InChIKeyXPCLSCCLFJYYDS-UHFFFAOYSA-N
XLogP4.17
TPSA46.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.88
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-[(2-chloro-4-fluorophenyl)methyl]-3-piperidin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine?
The IUPAC name of [6-[(2-chloro-4-fluorophenyl)methyl]-3-piperidin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine (CID 143550666) is [6-[(2-chloro-4-fluorophenyl)methyl]-3-piperidin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine.
What is the SMILES notation for [6-[(2-chloro-4-fluorophenyl)methyl]-3-piperidin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine?
The canonical SMILES for [6-[(2-chloro-4-fluorophenyl)methyl]-3-piperidin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine is NCc1cc2ncc(N3CCCCC3)n2cc1Cc1ccc(F)cc1Cl.
What is the InChIKey of [6-[(2-chloro-4-fluorophenyl)methyl]-3-piperidin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine?
The InChIKey is XPCLSCCLFJYYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN4/c21-18-10-17(22)5-4-14(18)8-16-13-26-19(9-15(16)11-23)24-12-20(26)25-6-2-1-3-7-25/h4-5,9-10,12-13H,1-3,6-8,11,23H2.
What are the key properties of [6-[(2-chloro-4-fluorophenyl)methyl]-3-piperidin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine?
[6-[(2-chloro-4-fluorophenyl)methyl]-3-piperidin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine has a molecular weight of 372.88 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(2-chloro-4-fluorophenyl)methyl]-3-piperidin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine is sourced from PubChem (CID 143550666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).