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

C24H21F2N5O5S — CID 70798867

IUPAC2,4-difluoro-N-[2-methoxy-5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide
SMILESCOc1ncc(-c2ccc3ncc(C(=O)N4CCOCC4)n3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C24H21F2N5O5S/c1-35-23-19(29-37(33,34)21-4-3-17(25)11-18(21)26)10-16(12-28-23)15-2-5-22-27-13-20(31(22)14-15)24(32)30-6-8-36-9-7-30/h2-5,10-14,29H,6-9H2,1H3
InChIKeyRPTDEQGFJUJJQD-UHFFFAOYSA-N
MW529.53 g/mol
LogP2.96
Rot. Bonds6

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

2,4-difluoro-N-[2-methoxy-5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide (PubChem CID 70798867) has the molecular formula C24H21F2N5O5S and a molecular weight of 529.53 g/mol. Its IUPAC name is 2,4-difluoro-N-[2-methoxy-5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-[2-methoxy-5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide
PubChem CID70798867
Molecular FormulaC24H21F2N5O5S
Molecular Weight529.53 g/mol
Exact Mass529.12
IUPAC Name2,4-difluoro-N-[2-methoxy-5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide
SMILESCOc1ncc(-c2ccc3ncc(C(=O)N4CCOCC4)n3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C24H21F2N5O5S/c1-35-23-19(29-37(33,34)21-4-3-17(25)11-18(21)26)10-16(12-28-23)15-2-5-22-27-13-20(31(22)14-15)24(32)30-6-8-36-9-7-30/h2-5,10-14,29H,6-9H2,1H3
InChIKeyRPTDEQGFJUJJQD-UHFFFAOYSA-N
XLogP2.96
TPSA115.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.53
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[2-methoxy-5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-[2-methoxy-5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide (CID 70798867) is 2,4-difluoro-N-[2-methoxy-5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-[2-methoxy-5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-[2-methoxy-5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide is COc1ncc(-c2ccc3ncc(C(=O)N4CCOCC4)n3c2)cc1NS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[2-methoxy-5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide?
The InChIKey is RPTDEQGFJUJJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N5O5S/c1-35-23-19(29-37(33,34)21-4-3-17(25)11-18(21)26)10-16(12-28-23)15-2-5-22-27-13-20(31(22)14-15)24(32)30-6-8-36-9-7-30/h2-5,10-14,29H,6-9H2,1H3.
What are the key properties of 2,4-difluoro-N-[2-methoxy-5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide?
2,4-difluoro-N-[2-methoxy-5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide has a molecular weight of 529.53 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[2-methoxy-5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 70798867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).