5-cyclopropyl-4-[[1-[(3,5-dichlorophenyl)methyl]-4-methylpiperidin-4-yl]methoxy]-2-imino-N'-methylsulfinylpyridine-1-carboximidamide

C24H31Cl2N5O2S — CID 144721554

IUPAC5-cyclopropyl-4-[[1-[(3,5-dichlorophenyl)methyl]-4-methylpiperidin-4-yl]methoxy]-2-imino-N'-methylsulfinylpyridine-1-carboximidamide
SMILES[H]/N=c1\cc(OCC2(C)CCN(Cc3cc(Cl)cc(Cl)c3)CC2)c(C2CC2)cn1/C(N)=N/S(C)=O
InChIInChI=1S/C24H31Cl2N5O2S/c1-24(5-7-30(8-6-24)13-16-9-18(25)11-19(26)10-16)15-33-21-12-22(27)31(23(28)29-34(2)32)14-20(21)17-3-4-17/h9-12,14,17,27H,3-8,13,15H2,1-2H3,(H2,28,29)/b27-22+
InChIKeyQHDWPYDZWJPSMJ-HPNDGRJYSA-N
MW524.52 g/mol
LogP4.29
Rot. Bonds7

About 5-cyclopropyl-4-[[1-[(3,5-dichlorophenyl)methyl]-4-methylpiperidin-4-yl]methoxy]-2-imino-N'-methylsulfinylpyridine-1-carboximidamide

5-cyclopropyl-4-[[1-[(3,5-dichlorophenyl)methyl]-4-methylpiperidin-4-yl]methoxy]-2-imino-N'-methylsulfinylpyridine-1-carboximidamide (PubChem CID 144721554) has the molecular formula C24H31Cl2N5O2S and a molecular weight of 524.52 g/mol. Its IUPAC name is 5-cyclopropyl-4-[[1-[(3,5-dichlorophenyl)methyl]-4-methylpiperidin-4-yl]methoxy]-2-imino-N'-methylsulfinylpyridine-1-carboximidamide.

Molecular Properties

Compound Name5-cyclopropyl-4-[[1-[(3,5-dichlorophenyl)methyl]-4-methylpiperidin-4-yl]methoxy]-2-imino-N'-methylsulfinylpyridine-1-carboximidamide
PubChem CID144721554
Molecular FormulaC24H31Cl2N5O2S
Molecular Weight524.52 g/mol
Exact Mass523.16
IUPAC Name5-cyclopropyl-4-[[1-[(3,5-dichlorophenyl)methyl]-4-methylpiperidin-4-yl]methoxy]-2-imino-N'-methylsulfinylpyridine-1-carboximidamide
SMILES[H]/N=c1\cc(OCC2(C)CCN(Cc3cc(Cl)cc(Cl)c3)CC2)c(C2CC2)cn1/C(N)=N/S(C)=O
InChIInChI=1S/C24H31Cl2N5O2S/c1-24(5-7-30(8-6-24)13-16-9-18(25)11-19(26)10-16)15-33-21-12-22(27)31(23(28)29-34(2)32)14-20(21)17-3-4-17/h9-12,14,17,27H,3-8,13,15H2,1-2H3,(H2,28,29)/b27-22+
InChIKeyQHDWPYDZWJPSMJ-HPNDGRJYSA-N
XLogP4.29
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.52
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 5-cyclopropyl-4-[[1-[(3,5-dichlorophenyl)methyl]-4-methylpiperidin-4-yl]methoxy]-2-imino-N'-methylsulfinylpyridine-1-carboximidamide 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 5-cyclopropyl-4-[[1-[(3,5-dichlorophenyl)methyl]-4-methylpiperidin-4-yl]methoxy]-2-imino-N'-methylsulfinylpyridine-1-carboximidamide?
The IUPAC name of 5-cyclopropyl-4-[[1-[(3,5-dichlorophenyl)methyl]-4-methylpiperidin-4-yl]methoxy]-2-imino-N'-methylsulfinylpyridine-1-carboximidamide (CID 144721554) is 5-cyclopropyl-4-[[1-[(3,5-dichlorophenyl)methyl]-4-methylpiperidin-4-yl]methoxy]-2-imino-N'-methylsulfinylpyridine-1-carboximidamide.
What is the SMILES notation for 5-cyclopropyl-4-[[1-[(3,5-dichlorophenyl)methyl]-4-methylpiperidin-4-yl]methoxy]-2-imino-N'-methylsulfinylpyridine-1-carboximidamide?
The canonical SMILES for 5-cyclopropyl-4-[[1-[(3,5-dichlorophenyl)methyl]-4-methylpiperidin-4-yl]methoxy]-2-imino-N'-methylsulfinylpyridine-1-carboximidamide is [H]/N=c1\cc(OCC2(C)CCN(Cc3cc(Cl)cc(Cl)c3)CC2)c(C2CC2)cn1/C(N)=N/S(C)=O.
What is the InChIKey of 5-cyclopropyl-4-[[1-[(3,5-dichlorophenyl)methyl]-4-methylpiperidin-4-yl]methoxy]-2-imino-N'-methylsulfinylpyridine-1-carboximidamide?
The InChIKey is QHDWPYDZWJPSMJ-HPNDGRJYSA-N. The full InChI is InChI=1S/C24H31Cl2N5O2S/c1-24(5-7-30(8-6-24)13-16-9-18(25)11-19(26)10-16)15-33-21-12-22(27)31(23(28)29-34(2)32)14-20(21)17-3-4-17/h9-12,14,17,27H,3-8,13,15H2,1-2H3,(H2,28,29)/b27-22+.
What are the key properties of 5-cyclopropyl-4-[[1-[(3,5-dichlorophenyl)methyl]-4-methylpiperidin-4-yl]methoxy]-2-imino-N'-methylsulfinylpyridine-1-carboximidamide?
5-cyclopropyl-4-[[1-[(3,5-dichlorophenyl)methyl]-4-methylpiperidin-4-yl]methoxy]-2-imino-N'-methylsulfinylpyridine-1-carboximidamide has a molecular weight of 524.52 g/mol, XLogP of 4.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-4-[[1-[(3,5-dichlorophenyl)methyl]-4-methylpiperidin-4-yl]methoxy]-2-imino-N'-methylsulfinylpyridine-1-carboximidamide is sourced from PubChem (CID 144721554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).