2,4-difluoro-N-[2-methoxy-5-[3-[5-(2-pyrrolidin-1-ylethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide

C27H25F2N7O4S — CID 155560926

IUPAC2,4-difluoro-N-[2-methoxy-5-[3-[5-(2-pyrrolidin-1-ylethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide
SMILESCOc1ncc(-c2ccc3ncc(-c4nnc(CCN5CCCC5)o4)n3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C27H25F2N7O4S/c1-39-26-21(34-41(37,38)23-6-5-19(28)13-20(23)29)12-18(14-31-26)17-4-7-24-30-15-22(36(24)16-17)27-33-32-25(40-27)8-11-35-9-2-3-10-35/h4-7,12-16,34H,2-3,8-11H2,1H3
InChIKeyQUACAKLDCWYULG-UHFFFAOYSA-N
MW581.61 g/mol
LogP4.17
Rot. Bonds9

About 2,4-difluoro-N-[2-methoxy-5-[3-[5-(2-pyrrolidin-1-ylethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide

2,4-difluoro-N-[2-methoxy-5-[3-[5-(2-pyrrolidin-1-ylethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide (PubChem CID 155560926) has the molecular formula C27H25F2N7O4S and a molecular weight of 581.61 g/mol. Its IUPAC name is 2,4-difluoro-N-[2-methoxy-5-[3-[5-(2-pyrrolidin-1-ylethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-[2-methoxy-5-[3-[5-(2-pyrrolidin-1-ylethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide
PubChem CID155560926
Molecular FormulaC27H25F2N7O4S
Molecular Weight581.61 g/mol
Exact Mass581.17
IUPAC Name2,4-difluoro-N-[2-methoxy-5-[3-[5-(2-pyrrolidin-1-ylethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide
SMILESCOc1ncc(-c2ccc3ncc(-c4nnc(CCN5CCCC5)o4)n3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C27H25F2N7O4S/c1-39-26-21(34-41(37,38)23-6-5-19(28)13-20(23)29)12-18(14-31-26)17-4-7-24-30-15-22(36(24)16-17)27-33-32-25(40-27)8-11-35-9-2-3-10-35/h4-7,12-16,34H,2-3,8-11H2,1H3
InChIKeyQUACAKLDCWYULG-UHFFFAOYSA-N
XLogP4.17
TPSA127.75 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500581.61
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[2-methoxy-5-[3-[5-(2-pyrrolidin-1-ylethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-[2-methoxy-5-[3-[5-(2-pyrrolidin-1-ylethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide (CID 155560926) is 2,4-difluoro-N-[2-methoxy-5-[3-[5-(2-pyrrolidin-1-ylethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-[2-methoxy-5-[3-[5-(2-pyrrolidin-1-ylethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-[2-methoxy-5-[3-[5-(2-pyrrolidin-1-ylethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide is COc1ncc(-c2ccc3ncc(-c4nnc(CCN5CCCC5)o4)n3c2)cc1NS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[2-methoxy-5-[3-[5-(2-pyrrolidin-1-ylethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide?
The InChIKey is QUACAKLDCWYULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F2N7O4S/c1-39-26-21(34-41(37,38)23-6-5-19(28)13-20(23)29)12-18(14-31-26)17-4-7-24-30-15-22(36(24)16-17)27-33-32-25(40-27)8-11-35-9-2-3-10-35/h4-7,12-16,34H,2-3,8-11H2,1H3.
What are the key properties of 2,4-difluoro-N-[2-methoxy-5-[3-[5-(2-pyrrolidin-1-ylethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide?
2,4-difluoro-N-[2-methoxy-5-[3-[5-(2-pyrrolidin-1-ylethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide has a molecular weight of 581.61 g/mol, XLogP of 4.17, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[2-methoxy-5-[3-[5-(2-pyrrolidin-1-ylethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 155560926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).