N-methyl-5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]pyridine-3-sulfonamide

C18H19N5O4S — CID 70798777

IUPACN-methyl-5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]pyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1cncc(-c2ccc3ncc(C(=O)N4CCOCC4)n3c2)c1
InChIInChI=1S/C18H19N5O4S/c1-19-28(25,26)15-8-14(9-20-10-15)13-2-3-17-21-11-16(23(17)12-13)18(24)22-4-6-27-7-5-22/h2-3,8-12,19H,4-7H2,1H3
InChIKeyOINNSAFXAMENST-UHFFFAOYSA-N
MW401.45 g/mol
LogP0.78
Rot. Bonds4

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

N-methyl-5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]pyridine-3-sulfonamide (PubChem CID 70798777) has the molecular formula C18H19N5O4S and a molecular weight of 401.45 g/mol. Its IUPAC name is N-methyl-5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-methyl-5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]pyridine-3-sulfonamide
PubChem CID70798777
Molecular FormulaC18H19N5O4S
Molecular Weight401.45 g/mol
Exact Mass401.12
IUPAC NameN-methyl-5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]pyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1cncc(-c2ccc3ncc(C(=O)N4CCOCC4)n3c2)c1
InChIInChI=1S/C18H19N5O4S/c1-19-28(25,26)15-8-14(9-20-10-15)13-2-3-17-21-11-16(23(17)12-13)18(24)22-4-6-27-7-5-22/h2-3,8-12,19H,4-7H2,1H3
InChIKeyOINNSAFXAMENST-UHFFFAOYSA-N
XLogP0.78
TPSA105.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.45
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]pyridine-3-sulfonamide?
The IUPAC name of N-methyl-5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]pyridine-3-sulfonamide (CID 70798777) is N-methyl-5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]pyridine-3-sulfonamide.
What is the SMILES notation for N-methyl-5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]pyridine-3-sulfonamide?
The canonical SMILES for N-methyl-5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]pyridine-3-sulfonamide is CNS(=O)(=O)c1cncc(-c2ccc3ncc(C(=O)N4CCOCC4)n3c2)c1.
What is the InChIKey of N-methyl-5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]pyridine-3-sulfonamide?
The InChIKey is OINNSAFXAMENST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O4S/c1-19-28(25,26)15-8-14(9-20-10-15)13-2-3-17-21-11-16(23(17)12-13)18(24)22-4-6-27-7-5-22/h2-3,8-12,19H,4-7H2,1H3.
What are the key properties of N-methyl-5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]pyridine-3-sulfonamide?
N-methyl-5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]pyridine-3-sulfonamide has a molecular weight of 401.45 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 70798777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).