[4-[4-(1,1-difluoropropyl)-N-(4-methoxy-3-pyridinyl)anilino]cyclohexyl]-morpholin-4-ylmethanone

C26H33F2N3O3 — CID 176922768

IUPAC[4-[4-(1,1-difluoropropyl)-N-(4-methoxy-3-pyridinyl)anilino]cyclohexyl]-morpholin-4-ylmethanone
SMILESCCC(F)(F)c1ccc(N(c2cnccc2OC)C2CCC(C(=O)N3CCOCC3)CC2)cc1
InChIInChI=1S/C26H33F2N3O3/c1-3-26(27,28)20-6-10-22(11-7-20)31(23-18-29-13-12-24(23)33-2)21-8-4-19(5-9-21)25(32)30-14-16-34-17-15-30/h6-7,10-13,18-19,21H,3-5,8-9,14-17H2,1-2H3
InChIKeyXAHGUGVLROBNMV-UHFFFAOYSA-N
MW473.56 g/mol
LogP5.15
Rot. Bonds7

About [4-[4-(1,1-difluoropropyl)-N-(4-methoxy-3-pyridinyl)anilino]cyclohexyl]-morpholin-4-ylmethanone

[4-[4-(1,1-difluoropropyl)-N-(4-methoxy-3-pyridinyl)anilino]cyclohexyl]-morpholin-4-ylmethanone (PubChem CID 176922768) has the molecular formula C26H33F2N3O3 and a molecular weight of 473.56 g/mol. Its IUPAC name is [4-[4-(1,1-difluoropropyl)-N-(4-methoxy-3-pyridinyl)anilino]cyclohexyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[4-(1,1-difluoropropyl)-N-(4-methoxy-3-pyridinyl)anilino]cyclohexyl]-morpholin-4-ylmethanone
PubChem CID176922768
Molecular FormulaC26H33F2N3O3
Molecular Weight473.56 g/mol
Exact Mass473.25
IUPAC Name[4-[4-(1,1-difluoropropyl)-N-(4-methoxy-3-pyridinyl)anilino]cyclohexyl]-morpholin-4-ylmethanone
SMILESCCC(F)(F)c1ccc(N(c2cnccc2OC)C2CCC(C(=O)N3CCOCC3)CC2)cc1
InChIInChI=1S/C26H33F2N3O3/c1-3-26(27,28)20-6-10-22(11-7-20)31(23-18-29-13-12-24(23)33-2)21-8-4-19(5-9-21)25(32)30-14-16-34-17-15-30/h6-7,10-13,18-19,21H,3-5,8-9,14-17H2,1-2H3
InChIKeyXAHGUGVLROBNMV-UHFFFAOYSA-N
XLogP5.15
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.56
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-[4-(1,1-difluoropropyl)-N-(4-methoxy-3-pyridinyl)anilino]cyclohexyl]-morpholin-4-ylmethanone with MolForge

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

Launch Full Analysis

Related Compounds

2-(Cyclohexen-1-yl)-1-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)ethanone
CID 71976705
3,3-diphenyl-1-[(3S)-3-pyridin-4-yloxypiperidin-1-yl]propan-1-one
CID 129527203
2-amino-N-(5-fluoro-4-methoxy-3-pyridinyl)-3-(4-fluorophenyl)-3-(4-methylphenyl)propanamide
CID 123887796
3-amino-1-[(3Z)-3-[amino-(4-methoxy-3-pyridinyl)methylidene]-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
CID 143807503
(2S)-3-(4-fluorophenyl)-N-[5-fluoro-4-[(2S)-2-propan-2-yloxypropoxy]-3-pyridinyl]-2-methyl-3-(4-methylphenyl)propanamide
CID 144871104
tert-butyl 4-[N-(4-ethoxy-3-pyridinyl)-4-(trifluoromethyl)anilino]-2-methylpiperidine-1-carboxylate
CID 176186738
[4-[N-(4-methoxy-3-pyridinyl)-4-(trifluoromethyl)anilino]piperidin-1-yl]-(2-methyl-4-pyridinyl)methanone
CID 176186747
1-bicyclo[1.1.1]pentanyl-[4-[N-(4-methoxy-3-pyridinyl)-4-(trifluoromethyl)anilino]piperidin-1-yl]methanone
CID 176186755
4-methoxy-N-piperidin-4-yl-N-[4-(trifluoromethyl)phenyl]pyridin-3-amine
CID 176186791
[4-[4-(difluoromethoxy)-N-(4-methoxy-3-pyridinyl)anilino]cyclohexyl]-morpholin-4-ylmethanone
CID 176186801
cyclobutyl-[4-[N-(4-methoxy-3-pyridinyl)-4-(trifluoromethyl)anilino]piperidin-1-yl]methanone
CID 176186807
tert-butyl 4-[N-(4-methoxy-3-pyridinyl)-4-(trifluoromethyl)anilino]piperidine-1-carboxylate
CID 176186809

Frequently Asked Questions

What is the IUPAC name of [4-[4-(1,1-difluoropropyl)-N-(4-methoxy-3-pyridinyl)anilino]cyclohexyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[4-(1,1-difluoropropyl)-N-(4-methoxy-3-pyridinyl)anilino]cyclohexyl]-morpholin-4-ylmethanone (CID 176922768) is [4-[4-(1,1-difluoropropyl)-N-(4-methoxy-3-pyridinyl)anilino]cyclohexyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[4-(1,1-difluoropropyl)-N-(4-methoxy-3-pyridinyl)anilino]cyclohexyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[4-(1,1-difluoropropyl)-N-(4-methoxy-3-pyridinyl)anilino]cyclohexyl]-morpholin-4-ylmethanone is CCC(F)(F)c1ccc(N(c2cnccc2OC)C2CCC(C(=O)N3CCOCC3)CC2)cc1.
What is the InChIKey of [4-[4-(1,1-difluoropropyl)-N-(4-methoxy-3-pyridinyl)anilino]cyclohexyl]-morpholin-4-ylmethanone?
The InChIKey is XAHGUGVLROBNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33F2N3O3/c1-3-26(27,28)20-6-10-22(11-7-20)31(23-18-29-13-12-24(23)33-2)21-8-4-19(5-9-21)25(32)30-14-16-34-17-15-30/h6-7,10-13,18-19,21H,3-5,8-9,14-17H2,1-2H3.
What are the key properties of [4-[4-(1,1-difluoropropyl)-N-(4-methoxy-3-pyridinyl)anilino]cyclohexyl]-morpholin-4-ylmethanone?
[4-[4-(1,1-difluoropropyl)-N-(4-methoxy-3-pyridinyl)anilino]cyclohexyl]-morpholin-4-ylmethanone has a molecular weight of 473.56 g/mol, XLogP of 5.15, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(1,1-difluoropropyl)-N-(4-methoxy-3-pyridinyl)anilino]cyclohexyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 176922768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).