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

C21H26N4O3S — CID 78817001

IUPAC4-ethoxy-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-piperidin-1-ylsulfonylaniline
SMILESCCOc1ccc(NCc2cn3ccccc3n2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C21H26N4O3S/c1-2-28-19-10-9-17(14-20(19)29(26,27)25-12-5-3-6-13-25)22-15-18-16-24-11-7-4-8-21(24)23-18/h4,7-11,14,16,22H,2-3,5-6,12-13,15H2,1H3
InChIKeyWCCWCQBCIJBNCT-UHFFFAOYSA-N
MW414.53 g/mol
LogP3.52
Rot. Bonds7

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

4-ethoxy-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-piperidin-1-ylsulfonylaniline (PubChem CID 78817001) has the molecular formula C21H26N4O3S and a molecular weight of 414.53 g/mol. Its IUPAC name is 4-ethoxy-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-piperidin-1-ylsulfonylaniline.

Molecular Properties

Compound Name4-ethoxy-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-piperidin-1-ylsulfonylaniline
PubChem CID78817001
Molecular FormulaC21H26N4O3S
Molecular Weight414.53 g/mol
Exact Mass414.17
IUPAC Name4-ethoxy-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-piperidin-1-ylsulfonylaniline
SMILESCCOc1ccc(NCc2cn3ccccc3n2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C21H26N4O3S/c1-2-28-19-10-9-17(14-20(19)29(26,27)25-12-5-3-6-13-25)22-15-18-16-24-11-7-4-8-21(24)23-18/h4,7-11,14,16,22H,2-3,5-6,12-13,15H2,1H3
InChIKeyWCCWCQBCIJBNCT-UHFFFAOYSA-N
XLogP3.52
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-piperidin-1-ylsulfonyl-2-propan-2-yloxyaniline
CID 78818564
imidazo[1,2-a]pyridin-2-ylmethyl 2-piperidin-1-ylsulfonylbenzoate
CID 7626180
4-ethoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-piperidin-1-ylsulfonylaniline
CID 78793301
N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]piperidine-1-sulfonamide
CID 155948919
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)naphthalene-2-carboxamide
CID 26189255
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-1-phenylpyrazole-3-carboxamide
CID 39932948
(2S)-2-amino-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 119270843
2-bromo-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26795556
4-ethoxy-3-pyrrolidin-1-ylsulfonyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)aniline
CID 86901842
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-quinolin-8-ylacetamide
CID 24666445
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 46823541
3,4,5-triethoxy-N-(imidazo[1,2-a]pyridin-2-ylmethyl)benzamide
CID 8917080

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-piperidin-1-ylsulfonylaniline?
The IUPAC name of 4-ethoxy-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-piperidin-1-ylsulfonylaniline (CID 78817001) is 4-ethoxy-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-piperidin-1-ylsulfonylaniline.
What is the SMILES notation for 4-ethoxy-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-piperidin-1-ylsulfonylaniline?
The canonical SMILES for 4-ethoxy-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-piperidin-1-ylsulfonylaniline is CCOc1ccc(NCc2cn3ccccc3n2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 4-ethoxy-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-piperidin-1-ylsulfonylaniline?
The InChIKey is WCCWCQBCIJBNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3S/c1-2-28-19-10-9-17(14-20(19)29(26,27)25-12-5-3-6-13-25)22-15-18-16-24-11-7-4-8-21(24)23-18/h4,7-11,14,16,22H,2-3,5-6,12-13,15H2,1H3.
What are the key properties of 4-ethoxy-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-piperidin-1-ylsulfonylaniline?
4-ethoxy-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-piperidin-1-ylsulfonylaniline has a molecular weight of 414.53 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-piperidin-1-ylsulfonylaniline is sourced from PubChem (CID 78817001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).