N-(imidazo[1,2-a]pyridin-3-ylmethyl)-1-(4-piperidin-1-ylsulfonylphenyl)methanamine

C20H24N4O2S — CID 87021417

IUPACN-(imidazo[1,2-a]pyridin-3-ylmethyl)-1-(4-piperidin-1-ylsulfonylphenyl)methanamine
SMILESO=S(=O)(c1ccc(CNCc2cnc3ccccn23)cc1)N1CCCCC1
InChIInChI=1S/C20H24N4O2S/c25-27(26,23-11-3-1-4-12-23)19-9-7-17(8-10-19)14-21-15-18-16-22-20-6-2-5-13-24(18)20/h2,5-10,13,16,21H,1,3-4,11-12,14-15H2
InChIKeyBUSZAUDHUMHNMO-UHFFFAOYSA-N
MW384.51 g/mol
LogP2.80
Rot. Bonds6

About N-(imidazo[1,2-a]pyridin-3-ylmethyl)-1-(4-piperidin-1-ylsulfonylphenyl)methanamine

N-(imidazo[1,2-a]pyridin-3-ylmethyl)-1-(4-piperidin-1-ylsulfonylphenyl)methanamine (PubChem CID 87021417) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is N-(imidazo[1,2-a]pyridin-3-ylmethyl)-1-(4-piperidin-1-ylsulfonylphenyl)methanamine.

Molecular Properties

Compound NameN-(imidazo[1,2-a]pyridin-3-ylmethyl)-1-(4-piperidin-1-ylsulfonylphenyl)methanamine
PubChem CID87021417
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC NameN-(imidazo[1,2-a]pyridin-3-ylmethyl)-1-(4-piperidin-1-ylsulfonylphenyl)methanamine
SMILESO=S(=O)(c1ccc(CNCc2cnc3ccccn23)cc1)N1CCCCC1
InChIInChI=1S/C20H24N4O2S/c25-27(26,23-11-3-1-4-12-23)19-9-7-17(8-10-19)14-21-15-18-16-22-20-6-2-5-13-24(18)20/h2,5-10,13,16,21H,1,3-4,11-12,14-15H2
InChIKeyBUSZAUDHUMHNMO-UHFFFAOYSA-N
XLogP2.80
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-piperidin-1-ylsulfonylphenyl)-N-(1H-pyrazol-5-ylmethyl)methanamine
CID 119109823
(3S)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(imidazo[1,2-a]pyridin-3-ylmethylamino)methyl]piperidin-2-one
CID 25284684
N-benzyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268156
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-(4-piperidin-1-ylsulfonylphenyl)methanamine
CID 112801703
4-(azepan-1-ylsulfonyl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)aniline
CID 78818466
N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]quinoxaline-2-carboxamide
CID 55737335
N-[(2-chlorophenyl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)methanamine
CID 27656588
1-(4-morpholin-4-ylsulfonylphenyl)-N-(naphthalen-2-ylmethyl)methanamine
CID 27656690
1-benzyl-2-methyl-3-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]guanidine;hydroiodide
CID 110953045
1-[4-[3-(4-piperidin-1-ylsulfonylphenyl)propyl]phenyl]sulfonylpiperidine
CID 124779418
N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyrazine-2-carboxamide
CID 51197502
6-phenyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]pyrimidin-4-amine
CID 108775001

Frequently Asked Questions

What is the IUPAC name of N-(imidazo[1,2-a]pyridin-3-ylmethyl)-1-(4-piperidin-1-ylsulfonylphenyl)methanamine?
The IUPAC name of N-(imidazo[1,2-a]pyridin-3-ylmethyl)-1-(4-piperidin-1-ylsulfonylphenyl)methanamine (CID 87021417) is N-(imidazo[1,2-a]pyridin-3-ylmethyl)-1-(4-piperidin-1-ylsulfonylphenyl)methanamine.
What is the SMILES notation for N-(imidazo[1,2-a]pyridin-3-ylmethyl)-1-(4-piperidin-1-ylsulfonylphenyl)methanamine?
The canonical SMILES for N-(imidazo[1,2-a]pyridin-3-ylmethyl)-1-(4-piperidin-1-ylsulfonylphenyl)methanamine is O=S(=O)(c1ccc(CNCc2cnc3ccccn23)cc1)N1CCCCC1.
What is the InChIKey of N-(imidazo[1,2-a]pyridin-3-ylmethyl)-1-(4-piperidin-1-ylsulfonylphenyl)methanamine?
The InChIKey is BUSZAUDHUMHNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2S/c25-27(26,23-11-3-1-4-12-23)19-9-7-17(8-10-19)14-21-15-18-16-22-20-6-2-5-13-24(18)20/h2,5-10,13,16,21H,1,3-4,11-12,14-15H2.
What are the key properties of N-(imidazo[1,2-a]pyridin-3-ylmethyl)-1-(4-piperidin-1-ylsulfonylphenyl)methanamine?
N-(imidazo[1,2-a]pyridin-3-ylmethyl)-1-(4-piperidin-1-ylsulfonylphenyl)methanamine has a molecular weight of 384.51 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[1,2-a]pyridin-3-ylmethyl)-1-(4-piperidin-1-ylsulfonylphenyl)methanamine is sourced from PubChem (CID 87021417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).