4-(azepan-1-ylsulfonyl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)aniline

C20H24N4O2S — CID 78818466

IUPAC4-(azepan-1-ylsulfonyl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)aniline
SMILESO=S(=O)(c1ccc(NCc2cn3ccccc3n2)cc1)N1CCCCCC1
InChIInChI=1S/C20H24N4O2S/c25-27(26,24-13-4-1-2-5-14-24)19-10-8-17(9-11-19)21-15-18-16-23-12-6-3-7-20(23)22-18/h3,6-12,16,21H,1-2,4-5,13-15H2
InChIKeyGWIXGOFOBPUSFK-UHFFFAOYSA-N
MW384.51 g/mol
LogP3.51
Rot. Bonds5

About 4-(azepan-1-ylsulfonyl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)aniline

4-(azepan-1-ylsulfonyl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)aniline (PubChem CID 78818466) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is 4-(azepan-1-ylsulfonyl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)aniline.

Molecular Properties

Compound Name4-(azepan-1-ylsulfonyl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)aniline
PubChem CID78818466
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC Name4-(azepan-1-ylsulfonyl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)aniline
SMILESO=S(=O)(c1ccc(NCc2cn3ccccc3n2)cc1)N1CCCCCC1
InChIInChI=1S/C20H24N4O2S/c25-27(26,24-13-4-1-2-5-14-24)19-10-8-17(9-11-19)21-15-18-16-23-12-6-3-7-20(23)22-18/h3,6-12,16,21H,1-2,4-5,13-15H2
InChIKeyGWIXGOFOBPUSFK-UHFFFAOYSA-N
XLogP3.51
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-piperidin-1-ylsulfonylaniline
CID 78817001
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 17470745
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-piperidin-1-ylsulfonyl-2-propan-2-yloxyaniline
CID 78818564
4-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)aniline
CID 759208
imidazo[1,2-a]pyridin-2-ylmethyl 2-piperidin-1-ylsulfonylbenzoate
CID 7626180
2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 22197062
N-(imidazo[1,2-a]pyridin-2-ylmethyl)naphthalen-2-amine
CID 43400804
N-[(2-fluorophenyl)methyl]-4-piperidin-1-ylsulfonylaniline
CID 110826359
2-[[4-(2-nitro-4-piperidin-1-ylsulfonylphenyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 24528669
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-(4-piperidin-1-ylsulfonylphenyl)methanamine
CID 112801703
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-propan-2-yloxyaniline
CID 43123163
N-[(4-methylphenyl)methyl]-4-piperidin-1-ylsulfonylaniline
CID 110826196

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-ylsulfonyl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)aniline?
The IUPAC name of 4-(azepan-1-ylsulfonyl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)aniline (CID 78818466) is 4-(azepan-1-ylsulfonyl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)aniline.
What is the SMILES notation for 4-(azepan-1-ylsulfonyl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)aniline?
The canonical SMILES for 4-(azepan-1-ylsulfonyl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)aniline is O=S(=O)(c1ccc(NCc2cn3ccccc3n2)cc1)N1CCCCCC1.
What is the InChIKey of 4-(azepan-1-ylsulfonyl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)aniline?
The InChIKey is GWIXGOFOBPUSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2S/c25-27(26,24-13-4-1-2-5-14-24)19-10-8-17(9-11-19)21-15-18-16-23-12-6-3-7-20(23)22-18/h3,6-12,16,21H,1-2,4-5,13-15H2.
What are the key properties of 4-(azepan-1-ylsulfonyl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)aniline?
4-(azepan-1-ylsulfonyl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)aniline has a molecular weight of 384.51 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-ylsulfonyl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)aniline is sourced from PubChem (CID 78818466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).