[6-chloro-3-[(4-methoxypiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone

C21H29ClN4O3 — CID 24793298

IUPAC[6-chloro-3-[(4-methoxypiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
SMILESCOC1CCN(Cc2c(C(=O)N3C[C@@H](C)O[C@@H](C)C3)nc3ccc(Cl)cn23)CC1
InChIInChI=1S/C21H29ClN4O3/c1-14-10-25(11-15(2)29-14)21(27)20-18(13-24-8-6-17(28-3)7-9-24)26-12-16(22)4-5-19(26)23-20/h4-5,12,14-15,17H,6-11,13H2,1-3H3/t14-,15+
InChIKeyZVAFLARUNJXZGO-GASCZTMLSA-N
MW420.94 g/mol
LogP2.85
Rot. Bonds4

About [6-chloro-3-[(4-methoxypiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone

[6-chloro-3-[(4-methoxypiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone (PubChem CID 24793298) has the molecular formula C21H29ClN4O3 and a molecular weight of 420.94 g/mol. Its IUPAC name is [6-chloro-3-[(4-methoxypiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name[6-chloro-3-[(4-methoxypiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
PubChem CID24793298
Molecular FormulaC21H29ClN4O3
Molecular Weight420.94 g/mol
Exact Mass420.19
IUPAC Name[6-chloro-3-[(4-methoxypiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
SMILESCOC1CCN(Cc2c(C(=O)N3C[C@@H](C)O[C@@H](C)C3)nc3ccc(Cl)cn23)CC1
InChIInChI=1S/C21H29ClN4O3/c1-14-10-25(11-15(2)29-14)21(27)20-18(13-24-8-6-17(28-3)7-9-24)26-12-16(22)4-5-19(26)23-20/h4-5,12,14-15,17H,6-11,13H2,1-3H3/t14-,15+
InChIKeyZVAFLARUNJXZGO-GASCZTMLSA-N
XLogP2.85
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.94
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [6-chloro-3-[(4-methoxypiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [6-chloro-3-[(4-methoxypiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone?
The IUPAC name of [6-chloro-3-[(4-methoxypiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone (CID 24793298) is [6-chloro-3-[(4-methoxypiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone.
What is the SMILES notation for [6-chloro-3-[(4-methoxypiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone?
The canonical SMILES for [6-chloro-3-[(4-methoxypiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone is COC1CCN(Cc2c(C(=O)N3C[C@@H](C)O[C@@H](C)C3)nc3ccc(Cl)cn23)CC1.
What is the InChIKey of [6-chloro-3-[(4-methoxypiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone?
The InChIKey is ZVAFLARUNJXZGO-GASCZTMLSA-N. The full InChI is InChI=1S/C21H29ClN4O3/c1-14-10-25(11-15(2)29-14)21(27)20-18(13-24-8-6-17(28-3)7-9-24)26-12-16(22)4-5-19(26)23-20/h4-5,12,14-15,17H,6-11,13H2,1-3H3/t14-,15+.
What are the key properties of [6-chloro-3-[(4-methoxypiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone?
[6-chloro-3-[(4-methoxypiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone has a molecular weight of 420.94 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-3-[(4-methoxypiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone is sourced from PubChem (CID 24793298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).