N-[3-[4-[2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]propyl]methanesulfonamide

C27H32N6O3S — CID 167278318

IUPACN-[3-[4-[2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]propyl]methanesulfonamide
SMILESCCc1cc(O)ccc1-c1ccc2c(-c3ncc(C4=CCN(CCCNS(C)(=O)=O)CC4)[nH]3)n[nH]c2c1
InChIInChI=1S/C27H32N6O3S/c1-3-18-15-21(34)6-8-22(18)20-5-7-23-24(16-20)31-32-26(23)27-28-17-25(30-27)19-9-13-33(14-10-19)12-4-11-29-37(2,35)36/h5-9,15-17,29,34H,3-4,10-14H2,1-2H3,(H,28,30)(H,31,32)
InChIKeyNFEJTCHEFGAAGY-UHFFFAOYSA-N
MW520.66 g/mol
LogP3.92
Rot. Bonds9

About N-[3-[4-[2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]propyl]methanesulfonamide

N-[3-[4-[2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]propyl]methanesulfonamide (PubChem CID 167278318) has the molecular formula C27H32N6O3S and a molecular weight of 520.66 g/mol. Its IUPAC name is N-[3-[4-[2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[4-[2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]propyl]methanesulfonamide
PubChem CID167278318
Molecular FormulaC27H32N6O3S
Molecular Weight520.66 g/mol
Exact Mass520.23
IUPAC NameN-[3-[4-[2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]propyl]methanesulfonamide
SMILESCCc1cc(O)ccc1-c1ccc2c(-c3ncc(C4=CCN(CCCNS(C)(=O)=O)CC4)[nH]3)n[nH]c2c1
InChIInChI=1S/C27H32N6O3S/c1-3-18-15-21(34)6-8-22(18)20-5-7-23-24(16-20)31-32-26(23)27-28-17-25(30-27)19-9-13-33(14-10-19)12-4-11-29-37(2,35)36/h5-9,15-17,29,34H,3-4,10-14H2,1-2H3,(H,28,30)(H,31,32)
InChIKeyNFEJTCHEFGAAGY-UHFFFAOYSA-N
XLogP3.92
TPSA127.00 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.66
LogP ≤ 53.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[3-[4-[2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]propyl]methanesulfonamide 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

CID 135567293
CID 135567293
CID 137656346
CID 137656346
CID 146421275
CID 146421275
CID 135928472
CID 135928472
CID 137645020
CID 137645020
CID 137657080
CID 137657080
CID 135779185
CID 135779185
CID 135839328
CID 135839328
CID 137223928
CID 137223928
CID 137634328
CID 137634328
CID 136215098
CID 136215098
CID 136215116
CID 136215116

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]propyl]methanesulfonamide?
The IUPAC name of N-[3-[4-[2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]propyl]methanesulfonamide (CID 167278318) is N-[3-[4-[2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]propyl]methanesulfonamide.
What is the SMILES notation for N-[3-[4-[2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]propyl]methanesulfonamide?
The canonical SMILES for N-[3-[4-[2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]propyl]methanesulfonamide is CCc1cc(O)ccc1-c1ccc2c(-c3ncc(C4=CCN(CCCNS(C)(=O)=O)CC4)[nH]3)n[nH]c2c1.
What is the InChIKey of N-[3-[4-[2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]propyl]methanesulfonamide?
The InChIKey is NFEJTCHEFGAAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6O3S/c1-3-18-15-21(34)6-8-22(18)20-5-7-23-24(16-20)31-32-26(23)27-28-17-25(30-27)19-9-13-33(14-10-19)12-4-11-29-37(2,35)36/h5-9,15-17,29,34H,3-4,10-14H2,1-2H3,(H,28,30)(H,31,32).
What are the key properties of N-[3-[4-[2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]propyl]methanesulfonamide?
N-[3-[4-[2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]propyl]methanesulfonamide has a molecular weight of 520.66 g/mol, XLogP of 3.92, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]propyl]methanesulfonamide is sourced from PubChem (CID 167278318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).