N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-(4-piperidin-1-ylsulfonylphenyl)methanamine

C20H23ClN4O2S — CID 112801703

IUPACN-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-(4-piperidin-1-ylsulfonylphenyl)methanamine
SMILESO=S(=O)(c1ccc(CNCc2cn3cc(Cl)ccc3n2)cc1)N1CCCCC1
InChIInChI=1S/C20H23ClN4O2S/c21-17-6-9-20-23-18(15-24(20)14-17)13-22-12-16-4-7-19(8-5-16)28(26,27)25-10-2-1-3-11-25/h4-9,14-15,22H,1-3,10-13H2
InChIKeyOHWIMNMYEOEYIF-UHFFFAOYSA-N
MW418.95 g/mol
LogP3.45
Rot. Bonds6

About N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-(4-piperidin-1-ylsulfonylphenyl)methanamine

N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-(4-piperidin-1-ylsulfonylphenyl)methanamine (PubChem CID 112801703) has the molecular formula C20H23ClN4O2S and a molecular weight of 418.95 g/mol. Its IUPAC name is N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-(4-piperidin-1-ylsulfonylphenyl)methanamine.

Molecular Properties

Compound NameN-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-(4-piperidin-1-ylsulfonylphenyl)methanamine
PubChem CID112801703
Molecular FormulaC20H23ClN4O2S
Molecular Weight418.95 g/mol
Exact Mass418.12
IUPAC NameN-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-(4-piperidin-1-ylsulfonylphenyl)methanamine
SMILESO=S(=O)(c1ccc(CNCc2cn3cc(Cl)ccc3n2)cc1)N1CCCCC1
InChIInChI=1S/C20H23ClN4O2S/c21-17-6-9-20-23-18(15-24(20)14-17)13-22-12-16-4-7-19(8-5-16)28(26,27)25-10-2-1-3-11-25/h4-9,14-15,22H,1-3,10-13H2
InChIKeyOHWIMNMYEOEYIF-UHFFFAOYSA-N
XLogP3.45
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.95
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(azepan-1-ylsulfonyl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)aniline
CID 78818466
1-(4-piperidin-1-ylsulfonylphenyl)-N-(1H-pyrazol-5-ylmethyl)methanamine
CID 119109823
6-bromo-2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 55831602
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 17470745
1-(4-chlorophenyl)-3-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]urea
CID 108782077
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102905572
(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-(azepan-1-ylsulfonyl)benzoate
CID 43032422
N-[2-(4-chlorophenyl)ethyl]-4-piperidin-1-ylsulfonylbenzamide
CID 4289503
2-[(4-methylphenyl)methylamino]-1-(4-piperidin-1-ylsulfonylphenyl)ethanone
CID 110824134
ethyl 5-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylcarbamoyl]piperidin-1-yl]sulfonylfuran-2-carboxylate
CID 55652041
6-chloro-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyridine-3-carboxamide
CID 46592420
4-(azepan-1-ylsulfonyl)-N-[2-[(4-chlorobenzoyl)amino]ethyl]benzamide
CID 34991413

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-(4-piperidin-1-ylsulfonylphenyl)methanamine?
The IUPAC name of N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-(4-piperidin-1-ylsulfonylphenyl)methanamine (CID 112801703) is N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-(4-piperidin-1-ylsulfonylphenyl)methanamine.
What is the SMILES notation for N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-(4-piperidin-1-ylsulfonylphenyl)methanamine?
The canonical SMILES for N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-(4-piperidin-1-ylsulfonylphenyl)methanamine is O=S(=O)(c1ccc(CNCc2cn3cc(Cl)ccc3n2)cc1)N1CCCCC1.
What is the InChIKey of N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-(4-piperidin-1-ylsulfonylphenyl)methanamine?
The InChIKey is OHWIMNMYEOEYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O2S/c21-17-6-9-20-23-18(15-24(20)14-17)13-22-12-16-4-7-19(8-5-16)28(26,27)25-10-2-1-3-11-25/h4-9,14-15,22H,1-3,10-13H2.
What are the key properties of N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-(4-piperidin-1-ylsulfonylphenyl)methanamine?
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-(4-piperidin-1-ylsulfonylphenyl)methanamine has a molecular weight of 418.95 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-(4-piperidin-1-ylsulfonylphenyl)methanamine is sourced from PubChem (CID 112801703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).