N-[5-(3-but-1-ynylimidazo[1,2-a]pyridin-6-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide

C20H20N4O3S — CID 90152177

IUPACN-[5-(3-but-1-ynylimidazo[1,2-a]pyridin-6-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide
SMILESCCC#Cc1cnc2ccc(-c3cnc(OC)c(NS(=O)(=O)C4CC4)c3)cn12
InChIInChI=1S/C20H20N4O3S/c1-3-4-5-16-12-21-19-9-6-14(13-24(16)19)15-10-18(20(27-2)22-11-15)23-28(25,26)17-7-8-17/h6,9-13,17,23H,3,7-8H2,1-2H3
InChIKeyLHLSAGLZTXIUAW-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.07
Rot. Bonds5

About N-[5-(3-but-1-ynylimidazo[1,2-a]pyridin-6-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide

N-[5-(3-but-1-ynylimidazo[1,2-a]pyridin-6-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide (PubChem CID 90152177) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is N-[5-(3-but-1-ynylimidazo[1,2-a]pyridin-6-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[5-(3-but-1-ynylimidazo[1,2-a]pyridin-6-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide
PubChem CID90152177
Molecular FormulaC20H20N4O3S
Molecular Weight396.47 g/mol
Exact Mass396.13
IUPAC NameN-[5-(3-but-1-ynylimidazo[1,2-a]pyridin-6-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide
SMILESCCC#Cc1cnc2ccc(-c3cnc(OC)c(NS(=O)(=O)C4CC4)c3)cn12
InChIInChI=1S/C20H20N4O3S/c1-3-4-5-16-12-21-19-9-6-14(13-24(16)19)15-10-18(20(27-2)22-11-15)23-28(25,26)17-7-8-17/h6,9-13,17,23H,3,7-8H2,1-2H3
InChIKeyLHLSAGLZTXIUAW-UHFFFAOYSA-N
XLogP3.07
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3-but-1-ynylimidazo[1,2-a]pyridin-6-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide?
The IUPAC name of N-[5-(3-but-1-ynylimidazo[1,2-a]pyridin-6-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide (CID 90152177) is N-[5-(3-but-1-ynylimidazo[1,2-a]pyridin-6-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[5-(3-but-1-ynylimidazo[1,2-a]pyridin-6-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide?
The canonical SMILES for N-[5-(3-but-1-ynylimidazo[1,2-a]pyridin-6-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide is CCC#Cc1cnc2ccc(-c3cnc(OC)c(NS(=O)(=O)C4CC4)c3)cn12.
What is the InChIKey of N-[5-(3-but-1-ynylimidazo[1,2-a]pyridin-6-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide?
The InChIKey is LHLSAGLZTXIUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S/c1-3-4-5-16-12-21-19-9-6-14(13-24(16)19)15-10-18(20(27-2)22-11-15)23-28(25,26)17-7-8-17/h6,9-13,17,23H,3,7-8H2,1-2H3.
What are the key properties of N-[5-(3-but-1-ynylimidazo[1,2-a]pyridin-6-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide?
N-[5-(3-but-1-ynylimidazo[1,2-a]pyridin-6-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide has a molecular weight of 396.47 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-but-1-ynylimidazo[1,2-a]pyridin-6-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide is sourced from PubChem (CID 90152177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).