N-[(3-chloro-2-fluorophenyl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanamine

C15H17ClFN3 — CID 128992936

IUPACN-[(3-chloro-2-fluorophenyl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanamine
SMILESFc1c(Cl)cccc1CNCC1CCc2nccn2C1
InChIInChI=1S/C15H17ClFN3/c16-13-3-1-2-12(15(13)17)9-18-8-11-4-5-14-19-6-7-20(14)10-11/h1-3,6-7,11,18H,4-5,8-10H2
InChIKeyQRKAVDQYFWVLNE-UHFFFAOYSA-N
MW293.77 g/mol
LogP3.03
Rot. Bonds4

About N-[(3-chloro-2-fluorophenyl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanamine

N-[(3-chloro-2-fluorophenyl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanamine (PubChem CID 128992936) has the molecular formula C15H17ClFN3 and a molecular weight of 293.77 g/mol. Its IUPAC name is N-[(3-chloro-2-fluorophenyl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanamine.

Molecular Properties

Compound NameN-[(3-chloro-2-fluorophenyl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanamine
PubChem CID128992936
Molecular FormulaC15H17ClFN3
Molecular Weight293.77 g/mol
Exact Mass293.11
IUPAC NameN-[(3-chloro-2-fluorophenyl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanamine
SMILESFc1c(Cl)cccc1CNCC1CCc2nccn2C1
InChIInChI=1S/C15H17ClFN3/c16-13-3-1-2-12(15(13)17)9-18-8-11-4-5-14-19-6-7-20(14)10-11/h1-3,6-7,11,18H,4-5,8-10H2
InChIKeyQRKAVDQYFWVLNE-UHFFFAOYSA-N
XLogP3.03
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3-chloro-2-fluorophenyl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2-fluorophenyl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanamine?
The IUPAC name of N-[(3-chloro-2-fluorophenyl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanamine (CID 128992936) is N-[(3-chloro-2-fluorophenyl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanamine.
What is the SMILES notation for N-[(3-chloro-2-fluorophenyl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanamine?
The canonical SMILES for N-[(3-chloro-2-fluorophenyl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanamine is Fc1c(Cl)cccc1CNCC1CCc2nccn2C1.
What is the InChIKey of N-[(3-chloro-2-fluorophenyl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanamine?
The InChIKey is QRKAVDQYFWVLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFN3/c16-13-3-1-2-12(15(13)17)9-18-8-11-4-5-14-19-6-7-20(14)10-11/h1-3,6-7,11,18H,4-5,8-10H2.
What are the key properties of N-[(3-chloro-2-fluorophenyl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanamine?
N-[(3-chloro-2-fluorophenyl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanamine has a molecular weight of 293.77 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-2-fluorophenyl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanamine is sourced from PubChem (CID 128992936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).