N-[[5-(3-methylsulfonylphenyl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide

C21H18N4O5S2 — CID 90012064

IUPACN-[[5-(3-methylsulfonylphenyl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCS(=O)(=O)c1cccc(S(=O)(=O)c2ccc(CNC(=O)c3ccc4nccn4c3)nc2)c1
InChIInChI=1S/C21H18N4O5S2/c1-31(27,28)17-3-2-4-18(11-17)32(29,30)19-7-6-16(23-13-19)12-24-21(26)15-5-8-20-22-9-10-25(20)14-15/h2-11,13-14H,12H2,1H3,(H,24,26)
InChIKeyAMSXDHDLRQWEOV-UHFFFAOYSA-N
MW470.53 g/mol
LogP1.90
Rot. Bonds6

About N-[[5-(3-methylsulfonylphenyl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide

N-[[5-(3-methylsulfonylphenyl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 90012064) has the molecular formula C21H18N4O5S2 and a molecular weight of 470.53 g/mol. Its IUPAC name is N-[[5-(3-methylsulfonylphenyl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[[5-(3-methylsulfonylphenyl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID90012064
Molecular FormulaC21H18N4O5S2
Molecular Weight470.53 g/mol
Exact Mass470.07
IUPAC NameN-[[5-(3-methylsulfonylphenyl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCS(=O)(=O)c1cccc(S(=O)(=O)c2ccc(CNC(=O)c3ccc4nccn4c3)nc2)c1
InChIInChI=1S/C21H18N4O5S2/c1-31(27,28)17-3-2-4-18(11-17)32(29,30)19-7-6-16(23-13-19)12-24-21(26)15-5-8-20-22-9-10-25(20)14-15/h2-11,13-14H,12H2,1H3,(H,24,26)
InChIKeyAMSXDHDLRQWEOV-UHFFFAOYSA-N
XLogP1.90
TPSA127.57 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-methylsulfonylphenyl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-[[5-(3-methylsulfonylphenyl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide (CID 90012064) is N-[[5-(3-methylsulfonylphenyl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[[5-(3-methylsulfonylphenyl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-[[5-(3-methylsulfonylphenyl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide is CS(=O)(=O)c1cccc(S(=O)(=O)c2ccc(CNC(=O)c3ccc4nccn4c3)nc2)c1.
What is the InChIKey of N-[[5-(3-methylsulfonylphenyl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is AMSXDHDLRQWEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O5S2/c1-31(27,28)17-3-2-4-18(11-17)32(29,30)19-7-6-16(23-13-19)12-24-21(26)15-5-8-20-22-9-10-25(20)14-15/h2-11,13-14H,12H2,1H3,(H,24,26).
What are the key properties of N-[[5-(3-methylsulfonylphenyl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
N-[[5-(3-methylsulfonylphenyl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 470.53 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-methylsulfonylphenyl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 90012064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).