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

C24H22FN5O5S — CID 70798869

IUPAC3-fluoro-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)c1cccc(F)c1
InChIInChI=1S/C24H22FN5O5S/c1-34-23-20(28-36(32,33)19-4-2-3-18(25)12-19)11-17(13-27-23)16-5-6-22-26-14-21(30(22)15-16)24(31)29-7-9-35-10-8-29/h2-6,11-15,28H,7-10H2,1H3
InChIKeyIPRUYHBHBAHYPT-UHFFFAOYSA-N
MW511.54 g/mol
LogP2.82
Rot. Bonds6

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

3-fluoro-N-[2-methoxy-5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide (PubChem CID 70798869) has the molecular formula C24H22FN5O5S and a molecular weight of 511.54 g/mol. Its IUPAC name is 3-fluoro-N-[2-methoxy-5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[2-methoxy-5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide
PubChem CID70798869
Molecular FormulaC24H22FN5O5S
Molecular Weight511.54 g/mol
Exact Mass511.13
IUPAC Name3-fluoro-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)c1cccc(F)c1
InChIInChI=1S/C24H22FN5O5S/c1-34-23-20(28-36(32,33)19-4-2-3-18(25)12-19)11-17(13-27-23)16-5-6-22-26-14-21(30(22)15-16)24(31)29-7-9-35-10-8-29/h2-6,11-15,28H,7-10H2,1H3
InChIKeyIPRUYHBHBAHYPT-UHFFFAOYSA-N
XLogP2.82
TPSA115.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.54
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-methoxy-5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 3-fluoro-N-[2-methoxy-5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide (CID 70798869) is 3-fluoro-N-[2-methoxy-5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-[2-methoxy-5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-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)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[2-methoxy-5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide?
The InChIKey is IPRUYHBHBAHYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O5S/c1-34-23-20(28-36(32,33)19-4-2-3-18(25)12-19)11-17(13-27-23)16-5-6-22-26-14-21(30(22)15-16)24(31)29-7-9-35-10-8-29/h2-6,11-15,28H,7-10H2,1H3.
What are the key properties of 3-fluoro-N-[2-methoxy-5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide?
3-fluoro-N-[2-methoxy-5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide has a molecular weight of 511.54 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-methoxy-5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 70798869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).