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

C17H18ClN5O2 — CID 56866156

IUPAC[6-chloro-3-(1H-imidazol-2-yl)imidazo[1,2-a]pyridin-2-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2nc3ccc(Cl)cn3c2-c2ncc[nH]2)C[C@H](C)O1
InChIInChI=1S/C17H18ClN5O2/c1-10-7-22(8-11(2)25-10)17(24)14-15(16-19-5-6-20-16)23-9-12(18)3-4-13(23)21-14/h3-6,9-11H,7-8H2,1-2H3,(H,19,20)/t10-,11+
InChIKeyCFFAQHBBGQGYMM-PHIMTYICSA-N
MW359.82 g/mol
LogP2.63
Rot. Bonds2

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

[6-chloro-3-(1H-imidazol-2-yl)imidazo[1,2-a]pyridin-2-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone (PubChem CID 56866156) has the molecular formula C17H18ClN5O2 and a molecular weight of 359.82 g/mol. Its IUPAC name is [6-chloro-3-(1H-imidazol-2-yl)imidazo[1,2-a]pyridin-2-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name[6-chloro-3-(1H-imidazol-2-yl)imidazo[1,2-a]pyridin-2-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
PubChem CID56866156
Molecular FormulaC17H18ClN5O2
Molecular Weight359.82 g/mol
Exact Mass359.11
IUPAC Name[6-chloro-3-(1H-imidazol-2-yl)imidazo[1,2-a]pyridin-2-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2nc3ccc(Cl)cn3c2-c2ncc[nH]2)C[C@H](C)O1
InChIInChI=1S/C17H18ClN5O2/c1-10-7-22(8-11(2)25-10)17(24)14-15(16-19-5-6-20-16)23-9-12(18)3-4-13(23)21-14/h3-6,9-11H,7-8H2,1-2H3,(H,19,20)/t10-,11+
InChIKeyCFFAQHBBGQGYMM-PHIMTYICSA-N
XLogP2.63
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.82
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-chloro-3-(1H-imidazol-2-yl)imidazo[1,2-a]pyridin-2-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone?
The IUPAC name of [6-chloro-3-(1H-imidazol-2-yl)imidazo[1,2-a]pyridin-2-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone (CID 56866156) is [6-chloro-3-(1H-imidazol-2-yl)imidazo[1,2-a]pyridin-2-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone.
What is the SMILES notation for [6-chloro-3-(1H-imidazol-2-yl)imidazo[1,2-a]pyridin-2-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone?
The canonical SMILES for [6-chloro-3-(1H-imidazol-2-yl)imidazo[1,2-a]pyridin-2-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone is C[C@@H]1CN(C(=O)c2nc3ccc(Cl)cn3c2-c2ncc[nH]2)C[C@H](C)O1.
What is the InChIKey of [6-chloro-3-(1H-imidazol-2-yl)imidazo[1,2-a]pyridin-2-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone?
The InChIKey is CFFAQHBBGQGYMM-PHIMTYICSA-N. The full InChI is InChI=1S/C17H18ClN5O2/c1-10-7-22(8-11(2)25-10)17(24)14-15(16-19-5-6-20-16)23-9-12(18)3-4-13(23)21-14/h3-6,9-11H,7-8H2,1-2H3,(H,19,20)/t10-,11+.
What are the key properties of [6-chloro-3-(1H-imidazol-2-yl)imidazo[1,2-a]pyridin-2-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone?
[6-chloro-3-(1H-imidazol-2-yl)imidazo[1,2-a]pyridin-2-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone has a molecular weight of 359.82 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-3-(1H-imidazol-2-yl)imidazo[1,2-a]pyridin-2-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone is sourced from PubChem (CID 56866156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).