N-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)methyl]-2-[3-fluoro-4-(methanesulfonamidomethyl)phenyl]propanamide

C24H30FN5O3S — CID 66644257

IUPACN-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)methyl]-2-[3-fluoro-4-(methanesulfonamidomethyl)phenyl]propanamide
SMILESCC(C(=O)NCc1cc(C(C)(C)C)nn1-c1ccccn1)c1ccc(CNS(C)(=O)=O)c(F)c1
InChIInChI=1S/C24H30FN5O3S/c1-16(17-9-10-18(20(25)12-17)14-28-34(5,32)33)23(31)27-15-19-13-21(24(2,3)4)29-30(19)22-8-6-7-11-26-22/h6-13,16,28H,14-15H2,1-5H3,(H,27,31)
InChIKeyGAQKKXSOZACJEQ-UHFFFAOYSA-N
MW487.60 g/mol
LogP3.17
Rot. Bonds8

About N-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)methyl]-2-[3-fluoro-4-(methanesulfonamidomethyl)phenyl]propanamide

N-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)methyl]-2-[3-fluoro-4-(methanesulfonamidomethyl)phenyl]propanamide (PubChem CID 66644257) has the molecular formula C24H30FN5O3S and a molecular weight of 487.60 g/mol. Its IUPAC name is N-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)methyl]-2-[3-fluoro-4-(methanesulfonamidomethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)methyl]-2-[3-fluoro-4-(methanesulfonamidomethyl)phenyl]propanamide
PubChem CID66644257
Molecular FormulaC24H30FN5O3S
Molecular Weight487.60 g/mol
Exact Mass487.21
IUPAC NameN-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)methyl]-2-[3-fluoro-4-(methanesulfonamidomethyl)phenyl]propanamide
SMILESCC(C(=O)NCc1cc(C(C)(C)C)nn1-c1ccccn1)c1ccc(CNS(C)(=O)=O)c(F)c1
InChIInChI=1S/C24H30FN5O3S/c1-16(17-9-10-18(20(25)12-17)14-28-34(5,32)33)23(31)27-15-19-13-21(24(2,3)4)29-30(19)22-8-6-7-11-26-22/h6-13,16,28H,14-15H2,1-5H3,(H,27,31)
InChIKeyGAQKKXSOZACJEQ-UHFFFAOYSA-N
XLogP3.17
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.60
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)methyl]-2-[3-fluoro-4-(methanesulfonamidomethyl)phenyl]propanamide 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 N-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)methyl]-2-[3-fluoro-4-(methanesulfonamidomethyl)phenyl]propanamide?
The IUPAC name of N-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)methyl]-2-[3-fluoro-4-(methanesulfonamidomethyl)phenyl]propanamide (CID 66644257) is N-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)methyl]-2-[3-fluoro-4-(methanesulfonamidomethyl)phenyl]propanamide.
What is the SMILES notation for N-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)methyl]-2-[3-fluoro-4-(methanesulfonamidomethyl)phenyl]propanamide?
The canonical SMILES for N-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)methyl]-2-[3-fluoro-4-(methanesulfonamidomethyl)phenyl]propanamide is CC(C(=O)NCc1cc(C(C)(C)C)nn1-c1ccccn1)c1ccc(CNS(C)(=O)=O)c(F)c1.
What is the InChIKey of N-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)methyl]-2-[3-fluoro-4-(methanesulfonamidomethyl)phenyl]propanamide?
The InChIKey is GAQKKXSOZACJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN5O3S/c1-16(17-9-10-18(20(25)12-17)14-28-34(5,32)33)23(31)27-15-19-13-21(24(2,3)4)29-30(19)22-8-6-7-11-26-22/h6-13,16,28H,14-15H2,1-5H3,(H,27,31).
What are the key properties of N-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)methyl]-2-[3-fluoro-4-(methanesulfonamidomethyl)phenyl]propanamide?
N-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)methyl]-2-[3-fluoro-4-(methanesulfonamidomethyl)phenyl]propanamide has a molecular weight of 487.60 g/mol, XLogP of 3.17, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)methyl]-2-[3-fluoro-4-(methanesulfonamidomethyl)phenyl]propanamide is sourced from PubChem (CID 66644257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).