[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;N-[5-[5-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-oxopentan-2-yl]-3-fluoro-2-pyridinyl]methanesulfonamide;2-[5-fluoro-6-(methanesulfonamido)-3-pyridinyl]propanoic acid

C41H45Cl2F2N9O7S2 — CID 161208234

IUPAC[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;N-[5-[5-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-oxopentan-2-yl]-3-fluoro-2-pyridinyl]methanesulfonamide;2-[5-fluoro-6-(methanesulfonamido)-3-pyridinyl]propanoic acid
SMILESCC(C(=O)O)c1cnc(NS(C)(=O)=O)c(F)c1.Cc1cc(CCC(=O)C(C)c2cnc(NS(C)(=O)=O)c(F)c2)n(-c2cccc(Cl)c2)n1.Cc1cc(CN)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C21H22ClFN4O3S.C11H12ClN3.C9H11FN2O4S/c1-13-9-18(27(25-13)17-6-4-5-16(22)11-17)7-8-20(28)14(2)15-10-19(23)21(24-12-15)26-31(3,29)30;1-8-5-11(7-13)15(14-8)10-4-2-3-9(12)6-10;1-5(9(13)14)6-3-7(10)8(11-4-6)12-17(2,15)16/h4-6,9-12,14H,7-8H2,1-3H3,(H,24,26);2-6H,7,13H2,1H3;3-5H,1-2H3,(H,11,12)(H,13,14)
InChIKeyUVWRNHYWDRIIQS-UHFFFAOYSA-N
MW948.90 g/mol
LogP7.12
Rot. Bonds14

About [2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;N-[5-[5-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-oxopentan-2-yl]-3-fluoro-2-pyridinyl]methanesulfonamide;2-[5-fluoro-6-(methanesulfonamido)-3-pyridinyl]propanoic acid

[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;N-[5-[5-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-oxopentan-2-yl]-3-fluoro-2-pyridinyl]methanesulfonamide;2-[5-fluoro-6-(methanesulfonamido)-3-pyridinyl]propanoic acid (PubChem CID 161208234) has the molecular formula C41H45Cl2F2N9O7S2 and a molecular weight of 948.90 g/mol. Its IUPAC name is [2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;N-[5-[5-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-oxopentan-2-yl]-3-fluoro-2-pyridinyl]methanesulfonamide;2-[5-fluoro-6-(methanesulfonamido)-3-pyridinyl]propanoic acid.

Molecular Properties

Compound Name[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;N-[5-[5-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-oxopentan-2-yl]-3-fluoro-2-pyridinyl]methanesulfonamide;2-[5-fluoro-6-(methanesulfonamido)-3-pyridinyl]propanoic acid
PubChem CID161208234
Molecular FormulaC41H45Cl2F2N9O7S2
Molecular Weight948.90 g/mol
Exact Mass947.22
IUPAC Name[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;N-[5-[5-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-oxopentan-2-yl]-3-fluoro-2-pyridinyl]methanesulfonamide;2-[5-fluoro-6-(methanesulfonamido)-3-pyridinyl]propanoic acid
SMILESCC(C(=O)O)c1cnc(NS(C)(=O)=O)c(F)c1.Cc1cc(CCC(=O)C(C)c2cnc(NS(C)(=O)=O)c(F)c2)n(-c2cccc(Cl)c2)n1.Cc1cc(CN)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C21H22ClFN4O3S.C11H12ClN3.C9H11FN2O4S/c1-13-9-18(27(25-13)17-6-4-5-16(22)11-17)7-8-20(28)14(2)15-10-19(23)21(24-12-15)26-31(3,29)30;1-8-5-11(7-13)15(14-8)10-4-2-3-9(12)6-10;1-5(9(13)14)6-3-7(10)8(11-4-6)12-17(2,15)16/h4-6,9-12,14H,7-8H2,1-3H3,(H,24,26);2-6H,7,13H2,1H3;3-5H,1-2H3,(H,11,12)(H,13,14)
InChIKeyUVWRNHYWDRIIQS-UHFFFAOYSA-N
XLogP7.12
TPSA234.15 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds14
Heavy Atoms63
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500948.90
LogP ≤ 57.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Analyze [2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;N-[5-[5-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-oxopentan-2-yl]-3-fluoro-2-pyridinyl]methanesulfonamide;2-[5-fluoro-6-(methanesulfonamido)-3-pyridinyl]propanoic acid 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-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;N-[5-[5-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-oxopentan-2-yl]-2-pyridinyl]-4-fluorobenzamide;2-(6-chloro-3-pyridinyl)acetic acid;3-(6-chloro-3-pyridinyl)butan-2-one;1-(6-chloro-3-pyridinyl)propan-2-one;2-[6-[(4-fluorobenzoyl)amino]-3-pyridinyl]propanoic acid;4-fluoro-N-[5-(3-oxobutan-2-yl)-2-pyridinyl]benzamide
CID 157390029
2-(6-benzamido-3-pyridinyl)propanoic acid;[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;N-[5-[5-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-oxopentan-2-yl]-2-pyridinyl]benzamide
CID 159100616
[3-Tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methanamine;1-[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]-4-[2-(2-phenylacetyl)pyrimidin-5-yl]pentan-3-one;2-[2-(2-phenylacetyl)pyrimidin-5-yl]propanoic acid
CID 159429073
1-[2-(3-Chlorophenyl)-5-methylpyrazol-3-yl]-4-[2-[2-(4-fluorophenyl)acetyl]pyrimidin-5-yl]pentan-3-one;[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;2-[2-[2-(4-fluorophenyl)acetyl]pyrimidin-5-yl]propanoic acid
CID 159560644
4-[6-(aminomethyl)-3-pyridinyl]-1-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]pentan-3-one;N-[[5-[5-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-oxopentan-2-yl]-2-pyridinyl]methyl]methanesulfonamide
CID 159727918
[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methanamine;N-[5-[5-[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]-3-oxopentan-2-yl]-3-fluoro-2-pyridinyl]methanesulfonamide;ethyl 2-(6-amino-5-fluoro-3-pyridinyl)propanoate;ethyl 2-chloropropanoate;ethyl 2-[5-fluoro-6-(methanesulfonamido)-3-pyridinyl]propanoate;ethyl 2-(5-fluoro-6-nitro-3-pyridinyl)propanoate;2-[5-fluoro-6-(methanesulfonamido)-3-pyridinyl]propanoic acid;3-fluoro-2-nitropyridine
CID 162076575

Frequently Asked Questions

What is the IUPAC name of [2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;N-[5-[5-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-oxopentan-2-yl]-3-fluoro-2-pyridinyl]methanesulfonamide;2-[5-fluoro-6-(methanesulfonamido)-3-pyridinyl]propanoic acid?
The IUPAC name of [2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;N-[5-[5-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-oxopentan-2-yl]-3-fluoro-2-pyridinyl]methanesulfonamide;2-[5-fluoro-6-(methanesulfonamido)-3-pyridinyl]propanoic acid (CID 161208234) is [2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;N-[5-[5-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-oxopentan-2-yl]-3-fluoro-2-pyridinyl]methanesulfonamide;2-[5-fluoro-6-(methanesulfonamido)-3-pyridinyl]propanoic acid.
What is the SMILES notation for [2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;N-[5-[5-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-oxopentan-2-yl]-3-fluoro-2-pyridinyl]methanesulfonamide;2-[5-fluoro-6-(methanesulfonamido)-3-pyridinyl]propanoic acid?
The canonical SMILES for [2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;N-[5-[5-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-oxopentan-2-yl]-3-fluoro-2-pyridinyl]methanesulfonamide;2-[5-fluoro-6-(methanesulfonamido)-3-pyridinyl]propanoic acid is CC(C(=O)O)c1cnc(NS(C)(=O)=O)c(F)c1.Cc1cc(CCC(=O)C(C)c2cnc(NS(C)(=O)=O)c(F)c2)n(-c2cccc(Cl)c2)n1.Cc1cc(CN)n(-c2cccc(Cl)c2)n1.
What is the InChIKey of [2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;N-[5-[5-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-oxopentan-2-yl]-3-fluoro-2-pyridinyl]methanesulfonamide;2-[5-fluoro-6-(methanesulfonamido)-3-pyridinyl]propanoic acid?
The InChIKey is UVWRNHYWDRIIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClFN4O3S.C11H12ClN3.C9H11FN2O4S/c1-13-9-18(27(25-13)17-6-4-5-16(22)11-17)7-8-20(28)14(2)15-10-19(23)21(24-12-15)26-31(3,29)30;1-8-5-11(7-13)15(14-8)10-4-2-3-9(12)6-10;1-5(9(13)14)6-3-7(10)8(11-4-6)12-17(2,15)16/h4-6,9-12,14H,7-8H2,1-3H3,(H,24,26);2-6H,7,13H2,1H3;3-5H,1-2H3,(H,11,12)(H,13,14).
What are the key properties of [2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;N-[5-[5-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-oxopentan-2-yl]-3-fluoro-2-pyridinyl]methanesulfonamide;2-[5-fluoro-6-(methanesulfonamido)-3-pyridinyl]propanoic acid?
[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;N-[5-[5-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-oxopentan-2-yl]-3-fluoro-2-pyridinyl]methanesulfonamide;2-[5-fluoro-6-(methanesulfonamido)-3-pyridinyl]propanoic acid has a molecular weight of 948.90 g/mol, XLogP of 7.12, 14 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;N-[5-[5-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-oxopentan-2-yl]-3-fluoro-2-pyridinyl]methanesulfonamide;2-[5-fluoro-6-(methanesulfonamido)-3-pyridinyl]propanoic acid is sourced from PubChem (CID 161208234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).