N-[2-chloro-5-(7-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)-3-pyridinyl]methanesulfonamide

C18H14ClN5O2S — CID 46913526

IUPACN-[2-chloro-5-(7-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)-3-pyridinyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(-c2cnc3cc(-c4cccnc4)ccn23)cnc1Cl
InChIInChI=1S/C18H14ClN5O2S/c1-27(25,26)23-15-7-14(10-22-18(15)19)16-11-21-17-8-12(4-6-24(16)17)13-3-2-5-20-9-13/h2-11,23H,1H3
InChIKeyXQLPJENHNDEWJH-UHFFFAOYSA-N
MW399.86 g/mol
LogP3.48
Rot. Bonds4

About N-[2-chloro-5-(7-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)-3-pyridinyl]methanesulfonamide

N-[2-chloro-5-(7-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)-3-pyridinyl]methanesulfonamide (PubChem CID 46913526) has the molecular formula C18H14ClN5O2S and a molecular weight of 399.86 g/mol. Its IUPAC name is N-[2-chloro-5-(7-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-chloro-5-(7-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)-3-pyridinyl]methanesulfonamide
PubChem CID46913526
Molecular FormulaC18H14ClN5O2S
Molecular Weight399.86 g/mol
Exact Mass399.06
IUPAC NameN-[2-chloro-5-(7-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)-3-pyridinyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(-c2cnc3cc(-c4cccnc4)ccn23)cnc1Cl
InChIInChI=1S/C18H14ClN5O2S/c1-27(25,26)23-15-7-14(10-22-18(15)19)16-11-21-17-8-12(4-6-24(16)17)13-3-2-5-20-9-13/h2-11,23H,1H3
InChIKeyXQLPJENHNDEWJH-UHFFFAOYSA-N
XLogP3.48
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.86
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(7-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)-3-pyridinyl]methanesulfonamide?
The IUPAC name of N-[2-chloro-5-(7-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)-3-pyridinyl]methanesulfonamide (CID 46913526) is N-[2-chloro-5-(7-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[2-chloro-5-(7-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)-3-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[2-chloro-5-(7-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)-3-pyridinyl]methanesulfonamide is CS(=O)(=O)Nc1cc(-c2cnc3cc(-c4cccnc4)ccn23)cnc1Cl.
What is the InChIKey of N-[2-chloro-5-(7-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)-3-pyridinyl]methanesulfonamide?
The InChIKey is XQLPJENHNDEWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5O2S/c1-27(25,26)23-15-7-14(10-22-18(15)19)16-11-21-17-8-12(4-6-24(16)17)13-3-2-5-20-9-13/h2-11,23H,1H3.
What are the key properties of N-[2-chloro-5-(7-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)-3-pyridinyl]methanesulfonamide?
N-[2-chloro-5-(7-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)-3-pyridinyl]methanesulfonamide has a molecular weight of 399.86 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(7-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 46913526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).