1-[2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]imidazo[1,2-a]pyridin-5-yl]-N,N-dimethylpiperidin-4-amine

C25H33ClN6 — CID 145424564

IUPAC1-[2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]imidazo[1,2-a]pyridin-5-yl]-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(c2cccc3nc([C@H]4CCC[C@@H](c5ncccc5Cl)N4C)cn23)CC1
InChIInChI=1S/C25H33ClN6/c1-29(2)18-12-15-31(16-13-18)24-11-5-10-23-28-20(17-32(23)24)21-8-4-9-22(30(21)3)25-19(26)7-6-14-27-25/h5-7,10-11,14,17-18,21-22H,4,8-9,12-13,15-16H2,1-3H3/t21-,22+/m1/s1
InChIKeyUEHYSWHTBXHNTD-YADHBBJMSA-N
MW453.03 g/mol
LogP4.81
Rot. Bonds4

About 1-[2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]imidazo[1,2-a]pyridin-5-yl]-N,N-dimethylpiperidin-4-amine

1-[2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]imidazo[1,2-a]pyridin-5-yl]-N,N-dimethylpiperidin-4-amine (PubChem CID 145424564) has the molecular formula C25H33ClN6 and a molecular weight of 453.03 g/mol. Its IUPAC name is 1-[2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]imidazo[1,2-a]pyridin-5-yl]-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]imidazo[1,2-a]pyridin-5-yl]-N,N-dimethylpiperidin-4-amine
PubChem CID145424564
Molecular FormulaC25H33ClN6
Molecular Weight453.03 g/mol
Exact Mass452.25
IUPAC Name1-[2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]imidazo[1,2-a]pyridin-5-yl]-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(c2cccc3nc([C@H]4CCC[C@@H](c5ncccc5Cl)N4C)cn23)CC1
InChIInChI=1S/C25H33ClN6/c1-29(2)18-12-15-31(16-13-18)24-11-5-10-23-28-20(17-32(23)24)21-8-4-9-22(30(21)3)25-19(26)7-6-14-27-25/h5-7,10-11,14,17-18,21-22H,4,8-9,12-13,15-16H2,1-3H3/t21-,22+/m1/s1
InChIKeyUEHYSWHTBXHNTD-YADHBBJMSA-N
XLogP4.81
TPSA39.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.03
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]imidazo[1,2-a]pyridin-5-yl]-N,N-dimethylpiperidin-4-amine 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 1-[2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]imidazo[1,2-a]pyridin-5-yl]-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-[2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]imidazo[1,2-a]pyridin-5-yl]-N,N-dimethylpiperidin-4-amine (CID 145424564) is 1-[2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]imidazo[1,2-a]pyridin-5-yl]-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]imidazo[1,2-a]pyridin-5-yl]-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]imidazo[1,2-a]pyridin-5-yl]-N,N-dimethylpiperidin-4-amine is CN(C)C1CCN(c2cccc3nc([C@H]4CCC[C@@H](c5ncccc5Cl)N4C)cn23)CC1.
What is the InChIKey of 1-[2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]imidazo[1,2-a]pyridin-5-yl]-N,N-dimethylpiperidin-4-amine?
The InChIKey is UEHYSWHTBXHNTD-YADHBBJMSA-N. The full InChI is InChI=1S/C25H33ClN6/c1-29(2)18-12-15-31(16-13-18)24-11-5-10-23-28-20(17-32(23)24)21-8-4-9-22(30(21)3)25-19(26)7-6-14-27-25/h5-7,10-11,14,17-18,21-22H,4,8-9,12-13,15-16H2,1-3H3/t21-,22+/m1/s1.
What are the key properties of 1-[2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]imidazo[1,2-a]pyridin-5-yl]-N,N-dimethylpiperidin-4-amine?
1-[2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]imidazo[1,2-a]pyridin-5-yl]-N,N-dimethylpiperidin-4-amine has a molecular weight of 453.03 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]imidazo[1,2-a]pyridin-5-yl]-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 145424564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).