N-[(4-piperazin-1-ylsulfinylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide

C19H21N5O2S — CID 123570000

IUPACN-[(4-piperazin-1-ylsulfinylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESO=C(NCc1ccc(S(=O)N2CCNCC2)cc1)c1ccc2nccn2c1
InChIInChI=1S/C19H21N5O2S/c25-19(16-3-6-18-21-9-10-23(18)14-16)22-13-15-1-4-17(5-2-15)27(26)24-11-7-20-8-12-24/h1-6,9-10,14,20H,7-8,11-13H2,(H,22,25)
InChIKeyBMJSOGIMSFENCA-UHFFFAOYSA-N
MW383.48 g/mol
LogP1.19
Rot. Bonds5

About N-[(4-piperazin-1-ylsulfinylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide

N-[(4-piperazin-1-ylsulfinylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 123570000) has the molecular formula C19H21N5O2S and a molecular weight of 383.48 g/mol. Its IUPAC name is N-[(4-piperazin-1-ylsulfinylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[(4-piperazin-1-ylsulfinylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID123570000
Molecular FormulaC19H21N5O2S
Molecular Weight383.48 g/mol
Exact Mass383.14
IUPAC NameN-[(4-piperazin-1-ylsulfinylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESO=C(NCc1ccc(S(=O)N2CCNCC2)cc1)c1ccc2nccn2c1
InChIInChI=1S/C19H21N5O2S/c25-19(16-3-6-18-21-9-10-23(18)14-16)22-13-15-1-4-17(5-2-15)27(26)24-11-7-20-8-12-24/h1-6,9-10,14,20H,7-8,11-13H2,(H,22,25)
InChIKeyBMJSOGIMSFENCA-UHFFFAOYSA-N
XLogP1.19
TPSA78.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-piperazin-1-ylpropyl)imidazo[1,2-a]pyridine-6-carboxamide;dihydrochloride
CID 119392015
N-[(4-piperidin-1-ylsulfinylphenyl)methyl]imidazo[1,2-b]pyridazine-6-carboxamide
CID 123806325
N-[(3,4-difluorophenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 70727068
N-[[4-(4-hydroxypiperidin-1-yl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 90012821
N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 134791397
N-[[4-(2-chlorophenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 90012691
N-[(4-piperazin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
CID 56943343
N-[2-(4-chlorophenyl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 110703993
4-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-1-N-(3-methylbutyl)benzene-1,4-dicarboxamide
CID 72699526
N-[[4-(2-azaspiro[5.5]undecan-2-ylsulfonyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 153192558
N-[[4-[5-(dimethylamino)pyrazin-2-yl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 66634626
N-[[4-[[6-(trifluoromethyl)-2-pyridinyl]sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 66610408

Frequently Asked Questions

What is the IUPAC name of N-[(4-piperazin-1-ylsulfinylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-[(4-piperazin-1-ylsulfinylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide (CID 123570000) is N-[(4-piperazin-1-ylsulfinylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[(4-piperazin-1-ylsulfinylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-[(4-piperazin-1-ylsulfinylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide is O=C(NCc1ccc(S(=O)N2CCNCC2)cc1)c1ccc2nccn2c1.
What is the InChIKey of N-[(4-piperazin-1-ylsulfinylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is BMJSOGIMSFENCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2S/c25-19(16-3-6-18-21-9-10-23(18)14-16)22-13-15-1-4-17(5-2-15)27(26)24-11-7-20-8-12-24/h1-6,9-10,14,20H,7-8,11-13H2,(H,22,25).
What are the key properties of N-[(4-piperazin-1-ylsulfinylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide?
N-[(4-piperazin-1-ylsulfinylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 383.48 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-piperazin-1-ylsulfinylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 123570000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).