N-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-piperidin-1-ylsulfonyl-2-propan-2-yloxyaniline

C22H28N4O3S — CID 78818564

IUPACN-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-piperidin-1-ylsulfonyl-2-propan-2-yloxyaniline
SMILESCC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NCc1cn2ccccc2n1
InChIInChI=1S/C22H28N4O3S/c1-17(2)29-21-10-9-19(30(27,28)26-12-5-3-6-13-26)14-20(21)23-15-18-16-25-11-7-4-8-22(25)24-18/h4,7-11,14,16-17,23H,3,5-6,12-13,15H2,1-2H3
InChIKeyQRDMFULMKJWVNL-UHFFFAOYSA-N
MW428.56 g/mol
LogP3.91
Rot. Bonds7

About N-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-piperidin-1-ylsulfonyl-2-propan-2-yloxyaniline

N-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-piperidin-1-ylsulfonyl-2-propan-2-yloxyaniline (PubChem CID 78818564) has the molecular formula C22H28N4O3S and a molecular weight of 428.56 g/mol. Its IUPAC name is N-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-piperidin-1-ylsulfonyl-2-propan-2-yloxyaniline.

Molecular Properties

Compound NameN-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-piperidin-1-ylsulfonyl-2-propan-2-yloxyaniline
PubChem CID78818564
Molecular FormulaC22H28N4O3S
Molecular Weight428.56 g/mol
Exact Mass428.19
IUPAC NameN-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-piperidin-1-ylsulfonyl-2-propan-2-yloxyaniline
SMILESCC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NCc1cn2ccccc2n1
InChIInChI=1S/C22H28N4O3S/c1-17(2)29-21-10-9-19(30(27,28)26-12-5-3-6-13-26)14-20(21)23-15-18-16-25-11-7-4-8-22(25)24-18/h4,7-11,14,16-17,23H,3,5-6,12-13,15H2,1-2H3
InChIKeyQRDMFULMKJWVNL-UHFFFAOYSA-N
XLogP3.91
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.56
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(azepan-1-ylsulfonyl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)aniline
CID 78818466
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-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)cyclobutanecarboxamide
CID 7761073
2-(2-methylindol-1-yl)-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)acetamide
CID 16566576
2-methylsulfanyl-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide
CID 43077603
imidazo[1,2-a]pyridin-2-ylmethyl 2-piperidin-1-ylsulfonylbenzoate
CID 7626180
2-[[4-(2-nitro-4-piperidin-1-ylsulfonylphenyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 24528669
cis-(1S,2R)-2-methyl-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)cyclopropane-1-carboxamide
CID 26265477
[2-oxo-2-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyanilino)ethyl] (E)-but-2-enoate
CID 9080829
5-bromo-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)thiophene-2-carboxamide
CID 26265446
N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 27955175

Frequently Asked Questions

What is the IUPAC name of N-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-piperidin-1-ylsulfonyl-2-propan-2-yloxyaniline?
The IUPAC name of N-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-piperidin-1-ylsulfonyl-2-propan-2-yloxyaniline (CID 78818564) is N-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-piperidin-1-ylsulfonyl-2-propan-2-yloxyaniline.
What is the SMILES notation for N-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-piperidin-1-ylsulfonyl-2-propan-2-yloxyaniline?
The canonical SMILES for N-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-piperidin-1-ylsulfonyl-2-propan-2-yloxyaniline is CC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NCc1cn2ccccc2n1.
What is the InChIKey of N-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-piperidin-1-ylsulfonyl-2-propan-2-yloxyaniline?
The InChIKey is QRDMFULMKJWVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3S/c1-17(2)29-21-10-9-19(30(27,28)26-12-5-3-6-13-26)14-20(21)23-15-18-16-25-11-7-4-8-22(25)24-18/h4,7-11,14,16-17,23H,3,5-6,12-13,15H2,1-2H3.
What are the key properties of N-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-piperidin-1-ylsulfonyl-2-propan-2-yloxyaniline?
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-piperidin-1-ylsulfonyl-2-propan-2-yloxyaniline has a molecular weight of 428.56 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-piperidin-1-ylsulfonyl-2-propan-2-yloxyaniline is sourced from PubChem (CID 78818564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).