N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-piperidin-1-ylpropane-1-sulfonamide

C22H28N4O2S — CID 10136423

IUPACN-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-piperidin-1-ylpropane-1-sulfonamide
SMILESCc1cccn2cc(-c3ccc(NS(=O)(=O)CCCN4CCCCC4)cc3)nc12
InChIInChI=1S/C22H28N4O2S/c1-18-7-5-15-26-17-21(23-22(18)26)19-8-10-20(11-9-19)24-29(27,28)16-6-14-25-12-3-2-4-13-25/h5,7-11,15,17,24H,2-4,6,12-14,16H2,1H3
InChIKeyVNKAOQPFMYFWGW-UHFFFAOYSA-N
MW412.56 g/mol
LogP3.93
Rot. Bonds7

About N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-piperidin-1-ylpropane-1-sulfonamide

N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-piperidin-1-ylpropane-1-sulfonamide (PubChem CID 10136423) has the molecular formula C22H28N4O2S and a molecular weight of 412.56 g/mol. Its IUPAC name is N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-piperidin-1-ylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-piperidin-1-ylpropane-1-sulfonamide
PubChem CID10136423
Molecular FormulaC22H28N4O2S
Molecular Weight412.56 g/mol
Exact Mass412.19
IUPAC NameN-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-piperidin-1-ylpropane-1-sulfonamide
SMILESCc1cccn2cc(-c3ccc(NS(=O)(=O)CCCN4CCCCC4)cc3)nc12
InChIInChI=1S/C22H28N4O2S/c1-18-7-5-15-26-17-21(23-22(18)26)19-8-10-20(11-9-19)24-29(27,28)16-6-14-25-12-3-2-4-13-25/h5,7-11,15,17,24H,2-4,6,12-14,16H2,1H3
InChIKeyVNKAOQPFMYFWGW-UHFFFAOYSA-N
XLogP3.93
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.56
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-piperidin-1-ylpropane-1-sulfonamide?
The IUPAC name of N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-piperidin-1-ylpropane-1-sulfonamide (CID 10136423) is N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-piperidin-1-ylpropane-1-sulfonamide.
What is the SMILES notation for N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-piperidin-1-ylpropane-1-sulfonamide?
The canonical SMILES for N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-piperidin-1-ylpropane-1-sulfonamide is Cc1cccn2cc(-c3ccc(NS(=O)(=O)CCCN4CCCCC4)cc3)nc12.
What is the InChIKey of N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-piperidin-1-ylpropane-1-sulfonamide?
The InChIKey is VNKAOQPFMYFWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2S/c1-18-7-5-15-26-17-21(23-22(18)26)19-8-10-20(11-9-19)24-29(27,28)16-6-14-25-12-3-2-4-13-25/h5,7-11,15,17,24H,2-4,6,12-14,16H2,1H3.
What are the key properties of N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-piperidin-1-ylpropane-1-sulfonamide?
N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-piperidin-1-ylpropane-1-sulfonamide has a molecular weight of 412.56 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-piperidin-1-ylpropane-1-sulfonamide is sourced from PubChem (CID 10136423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).