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

C23H21N5O4S — CID 70798603

IUPACN-[5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide
SMILESO=C(c1cnc2ccc(-c3cncc(NS(=O)(=O)c4ccccc4)c3)cn12)N1CCOCC1
InChIInChI=1S/C23H21N5O4S/c29-23(27-8-10-32-11-9-27)21-15-25-22-7-6-17(16-28(21)22)18-12-19(14-24-13-18)26-33(30,31)20-4-2-1-3-5-20/h1-7,12-16,26H,8-11H2
InChIKeyFMSKSPNHFCXGOC-UHFFFAOYSA-N
MW463.52 g/mol
LogP2.67
Rot. Bonds5

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

N-[5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide (PubChem CID 70798603) has the molecular formula C23H21N5O4S and a molecular weight of 463.52 g/mol. Its IUPAC name is N-[5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide
PubChem CID70798603
Molecular FormulaC23H21N5O4S
Molecular Weight463.52 g/mol
Exact Mass463.13
IUPAC NameN-[5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide
SMILESO=C(c1cnc2ccc(-c3cncc(NS(=O)(=O)c4ccccc4)c3)cn12)N1CCOCC1
InChIInChI=1S/C23H21N5O4S/c29-23(27-8-10-32-11-9-27)21-15-25-22-7-6-17(16-28(21)22)18-12-19(14-24-13-18)26-33(30,31)20-4-2-1-3-5-20/h1-7,12-16,26H,8-11H2
InChIKeyFMSKSPNHFCXGOC-UHFFFAOYSA-N
XLogP2.67
TPSA105.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.52
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide?
The IUPAC name of N-[5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide (CID 70798603) is N-[5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-[5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-[5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide is O=C(c1cnc2ccc(-c3cncc(NS(=O)(=O)c4ccccc4)c3)cn12)N1CCOCC1.
What is the InChIKey of N-[5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide?
The InChIKey is FMSKSPNHFCXGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O4S/c29-23(27-8-10-32-11-9-27)21-15-25-22-7-6-17(16-28(21)22)18-12-19(14-24-13-18)26-33(30,31)20-4-2-1-3-5-20/h1-7,12-16,26H,8-11H2.
What are the key properties of N-[5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide?
N-[5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide has a molecular weight of 463.52 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 70798603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).