[2-amino-4-(trifluoromethoxy)phenyl]-[4-[2-[(2S)-6,6-dimethylmorpholin-2-yl]-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]methanone;hydrochloride

About [2-amino-4-(trifluoromethoxy)phenyl]-[4-[2-[(2S)-6,6-dimethylmorpholin-2-yl]-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]methanone;hydrochloride

[2-amino-4-(trifluoromethoxy)phenyl]-[4-[2-[(2S)-6,6-dimethylmorpholin-2-yl]-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]methanone;hydrochloride (PubChem CID 176894483) has the molecular formula C25H30ClF3N6O3 and a molecular weight of 555.00 g/mol. Its IUPAC name is [2-amino-4-(trifluoromethoxy)phenyl]-[4-[2-[(2S)-6,6-dimethylmorpholin-2-yl]-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name	[2-amino-4-(trifluoromethoxy)phenyl]-[4-[2-[(2S)-6,6-dimethylmorpholin-2-yl]-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]methanone;hydrochloride
PubChem CID	176894483
Molecular Formula	C25H30ClF3N6O3
Molecular Weight	555.00 g/mol
Exact Mass	554.20
IUPAC Name	[2-amino-4-(trifluoromethoxy)phenyl]-[4-[2-[(2S)-6,6-dimethylmorpholin-2-yl]-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]methanone;hydrochloride
SMILES	CC1(C)CNC[C@@H](c2nc3nccc(C4CCN(C(=O)c5ccc(OC(F)(F)F)cc5N)CC4)c3[nH]2)O1.Cl
InChI	InChI=1S/C25H29F3N6O3.ClH/c1-24(2)13-30-12-19(37-24)21-32-20-16(5-8-31-22(20)33-21)14-6-9-34(10-7-14)23(35)17-4-3-15(11-18(17)29)36-25(26,27)28;/h3-5,8,11,14,19,30H,6-7,9-10,12-13,29H2,1-2H3,(H,31,32,33);1H/t19-;/m0./s1
InChIKey	VGZQQFJNDMBVOC-FYZYNONXSA-N
XLogP	4.32
TPSA	118.39 Å²
H-Bond Donors	3
H-Bond Acceptors	7
Rotatable Bonds	4
Heavy Atoms	38
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	555.00
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'aniline', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of [2-amino-4-(trifluoromethoxy)phenyl]-[4-[2-[(2S)-6,6-dimethylmorpholin-2-yl]-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]methanone;hydrochloride?

The IUPAC name of [2-amino-4-(trifluoromethoxy)phenyl]-[4-[2-[(2S)-6,6-dimethylmorpholin-2-yl]-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]methanone;hydrochloride (CID 176894483) is [2-amino-4-(trifluoromethoxy)phenyl]-[4-[2-[(2S)-6,6-dimethylmorpholin-2-yl]-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]methanone;hydrochloride.

What is the SMILES notation for [2-amino-4-(trifluoromethoxy)phenyl]-[4-[2-[(2S)-6,6-dimethylmorpholin-2-yl]-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]methanone;hydrochloride?

The canonical SMILES for [2-amino-4-(trifluoromethoxy)phenyl]-[4-[2-[(2S)-6,6-dimethylmorpholin-2-yl]-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]methanone;hydrochloride is CC1(C)CNC[C@@H](c2nc3nccc(C4CCN(C(=O)c5ccc(OC(F)(F)F)cc5N)CC4)c3[nH]2)O1.Cl.

What is the InChIKey of [2-amino-4-(trifluoromethoxy)phenyl]-[4-[2-[(2S)-6,6-dimethylmorpholin-2-yl]-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]methanone;hydrochloride?

The InChIKey is VGZQQFJNDMBVOC-FYZYNONXSA-N. The full InChI is InChI=1S/C25H29F3N6O3.ClH/c1-24(2)13-30-12-19(37-24)21-32-20-16(5-8-31-22(20)33-21)14-6-9-34(10-7-14)23(35)17-4-3-15(11-18(17)29)36-25(26,27)28;/h3-5,8,11,14,19,30H,6-7,9-10,12-13,29H2,1-2H3,(H,31,32,33);1H/t19-;/m0./s1.

What are the key properties of [2-amino-4-(trifluoromethoxy)phenyl]-[4-[2-[(2S)-6,6-dimethylmorpholin-2-yl]-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]methanone;hydrochloride?

[2-amino-4-(trifluoromethoxy)phenyl]-[4-[2-[(2S)-6,6-dimethylmorpholin-2-yl]-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]methanone;hydrochloride has a molecular weight of 555.00 g/mol, XLogP of 4.32, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-amino-4-(trifluoromethoxy)phenyl]-[4-[2-[(2S)-6,6-dimethylmorpholin-2-yl]-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 176894483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).