N-[2-methoxy-5-[3-[5-[2-(4-methylpiperazin-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]-4-(trifluoromethyl)benzenesulfonamide

C29H29F3N8O4S — CID 155559433

IUPACN-[2-methoxy-5-[3-[5-[2-(4-methylpiperazin-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESCOc1ncc(-c2ccc3ncc(-c4nnc(CCN5CCN(C)CC5)o4)n3c2)cc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C29H29F3N8O4S/c1-38-11-13-39(14-12-38)10-9-26-35-36-28(44-26)24-17-33-25-8-3-19(18-40(24)25)20-15-23(27(43-2)34-16-20)37-45(41,42)22-6-4-21(5-7-22)29(30,31)32/h3-8,15-18,37H,9-14H2,1-2H3
InChIKeyRYPWXSXLEHHVOW-UHFFFAOYSA-N
MW642.66 g/mol
LogP4.06
Rot. Bonds9

About N-[2-methoxy-5-[3-[5-[2-(4-methylpiperazin-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]-4-(trifluoromethyl)benzenesulfonamide

N-[2-methoxy-5-[3-[5-[2-(4-methylpiperazin-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 155559433) has the molecular formula C29H29F3N8O4S and a molecular weight of 642.66 g/mol. Its IUPAC name is N-[2-methoxy-5-[3-[5-[2-(4-methylpiperazin-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-methoxy-5-[3-[5-[2-(4-methylpiperazin-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]-4-(trifluoromethyl)benzenesulfonamide
PubChem CID155559433
Molecular FormulaC29H29F3N8O4S
Molecular Weight642.66 g/mol
Exact Mass642.20
IUPAC NameN-[2-methoxy-5-[3-[5-[2-(4-methylpiperazin-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESCOc1ncc(-c2ccc3ncc(-c4nnc(CCN5CCN(C)CC5)o4)n3c2)cc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C29H29F3N8O4S/c1-38-11-13-39(14-12-38)10-9-26-35-36-28(44-26)24-17-33-25-8-3-19(18-40(24)25)20-15-23(27(43-2)34-16-20)37-45(41,42)22-6-4-21(5-7-22)29(30,31)32/h3-8,15-18,37H,9-14H2,1-2H3
InChIKeyRYPWXSXLEHHVOW-UHFFFAOYSA-N
XLogP4.06
TPSA130.99 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.66
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze N-[2-methoxy-5-[3-[5-[2-(4-methylpiperazin-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]-4-(trifluoromethyl)benzenesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-[3-[5-[2-(4-methylpiperazin-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[2-methoxy-5-[3-[5-[2-(4-methylpiperazin-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]-4-(trifluoromethyl)benzenesulfonamide (CID 155559433) is N-[2-methoxy-5-[3-[5-[2-(4-methylpiperazin-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[2-methoxy-5-[3-[5-[2-(4-methylpiperazin-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[2-methoxy-5-[3-[5-[2-(4-methylpiperazin-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]-4-(trifluoromethyl)benzenesulfonamide is COc1ncc(-c2ccc3ncc(-c4nnc(CCN5CCN(C)CC5)o4)n3c2)cc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-methoxy-5-[3-[5-[2-(4-methylpiperazin-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is RYPWXSXLEHHVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29F3N8O4S/c1-38-11-13-39(14-12-38)10-9-26-35-36-28(44-26)24-17-33-25-8-3-19(18-40(24)25)20-15-23(27(43-2)34-16-20)37-45(41,42)22-6-4-21(5-7-22)29(30,31)32/h3-8,15-18,37H,9-14H2,1-2H3.
What are the key properties of N-[2-methoxy-5-[3-[5-[2-(4-methylpiperazin-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]-4-(trifluoromethyl)benzenesulfonamide?
N-[2-methoxy-5-[3-[5-[2-(4-methylpiperazin-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 642.66 g/mol, XLogP of 4.06, 9 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-[3-[5-[2-(4-methylpiperazin-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 155559433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).