N-[(1R)-1-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]ethyl]imidazo[1,2-a]pyridine-2-carboxamide;N-[(1R)-1-(4-piperazin-1-ylphenyl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide

C41H48N10O4S — CID 157175003

IUPACN-[(1R)-1-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]ethyl]imidazo[1,2-a]pyridine-2-carboxamide;N-[(1R)-1-(4-piperazin-1-ylphenyl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESC[C@@H](NC(=O)c1cn2ccccc2n1)c1ccc(N2CCN(S(C)(=O)=O)CC2)cc1.C[C@@H](NC(=O)c1cn2ccccc2n1)c1ccc(N2CCNCC2)cc1
InChIInChI=1S/C21H25N5O3S.C20H23N5O/c1-16(22-21(27)19-15-25-10-4-3-5-20(25)23-19)17-6-8-18(9-7-17)24-11-13-26(14-12-24)30(2,28)29;1-15(16-5-7-17(8-6-16)24-12-9-21-10-13-24)22-20(26)18-14-25-11-3-2-4-19(25)23-18/h3-10,15-16H,11-14H2,1-2H3,(H,22,27);2-8,11,14-15,21H,9-10,12-13H2,1H3,(H,22,26)/t16-;15-/m11/s1
InChIKeyANXCVOBNTSPGTL-YJNKZXLUSA-N
MW776.97 g/mol
LogP4.14
Rot. Bonds9

About N-[(1R)-1-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]ethyl]imidazo[1,2-a]pyridine-2-carboxamide;N-[(1R)-1-(4-piperazin-1-ylphenyl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide

N-[(1R)-1-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]ethyl]imidazo[1,2-a]pyridine-2-carboxamide;N-[(1R)-1-(4-piperazin-1-ylphenyl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 157175003) has the molecular formula C41H48N10O4S and a molecular weight of 776.97 g/mol. Its IUPAC name is N-[(1R)-1-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]ethyl]imidazo[1,2-a]pyridine-2-carboxamide;N-[(1R)-1-(4-piperazin-1-ylphenyl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]ethyl]imidazo[1,2-a]pyridine-2-carboxamide;N-[(1R)-1-(4-piperazin-1-ylphenyl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID157175003
Molecular FormulaC41H48N10O4S
Molecular Weight776.97 g/mol
Exact Mass776.36
IUPAC NameN-[(1R)-1-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]ethyl]imidazo[1,2-a]pyridine-2-carboxamide;N-[(1R)-1-(4-piperazin-1-ylphenyl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESC[C@@H](NC(=O)c1cn2ccccc2n1)c1ccc(N2CCN(S(C)(=O)=O)CC2)cc1.C[C@@H](NC(=O)c1cn2ccccc2n1)c1ccc(N2CCNCC2)cc1
InChIInChI=1S/C21H25N5O3S.C20H23N5O/c1-16(22-21(27)19-15-25-10-4-3-5-20(25)23-19)17-6-8-18(9-7-17)24-11-13-26(14-12-24)30(2,28)29;1-15(16-5-7-17(8-6-16)24-12-9-21-10-13-24)22-20(26)18-14-25-11-3-2-4-19(25)23-18/h3-10,15-16H,11-14H2,1-2H3,(H,22,27);2-8,11,14-15,21H,9-10,12-13H2,1H3,(H,22,26)/t16-;15-/m11/s1
InChIKeyANXCVOBNTSPGTL-YJNKZXLUSA-N
XLogP4.14
TPSA148.69 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500776.97
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze N-[(1R)-1-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]ethyl]imidazo[1,2-a]pyridine-2-carboxamide;N-[(1R)-1-(4-piperazin-1-ylphenyl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide with MolForge

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Related Compounds

N-[[4-[[(2S)-4-cyclohexyl-1-[(1-methylsulfonylpiperidin-3-yl)amino]-1-oxobutan-2-yl]carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 155568238
N-[[6-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]-2-pyridinyl]methyl]pyrazine-2-carboxamide
CID 57394933
(2S)-1-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)-N-[4-[(E)-2-[4-[[(2S)-1-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
CID 58768631
4-[[5-[4-(3-Methylpyrrolidin-1-yl)piperidin-1-yl]-2-pyridinyl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-10-one
CID 86279758
1-(3-methylphenyl)-N-{[8-methyl-2-(piperidin-1-ylcarbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}piperidin-4-amine
CID 16187286
(2-(3H-imidazo[4,5-c]pyridin-3-yl)-7-methyl-4-((S)-1-phenylethylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl)(4-methylpiperazin-1-yl)methanone
CID 44432177
2-(3H-imidazo[4,5-c]pyridin-3-yl)-7-methyl-N-(methylsulfonyl)-4-((S)-1-phenylethylamino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 44432182
2-(3H-imidazo[4,5-c]pyridin-3-yl)-7-methyl-4-((S)-1-phenylethylamino)-N-(phenylsulfonyl)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 44432190
(2-(3H-imidazo[4,5-c]pyridin-3-yl)-7-methyl-4-((R)-1-phenylethylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl)(4-methylpiperazin-1-yl)methanone
CID 44432192
N-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 118710463
N-[(1S)-1-phenylethyl]-6-quinolin-6-ylimidazo[1,2-a]pyridine-3-carboxamide
CID 164624532
N-[(1R)-1-phenylethyl]-6-quinolin-6-ylimidazo[1,2-a]pyridine-3-carboxamide
CID 164627110

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]ethyl]imidazo[1,2-a]pyridine-2-carboxamide;N-[(1R)-1-(4-piperazin-1-ylphenyl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-[(1R)-1-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]ethyl]imidazo[1,2-a]pyridine-2-carboxamide;N-[(1R)-1-(4-piperazin-1-ylphenyl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide (CID 157175003) is N-[(1R)-1-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]ethyl]imidazo[1,2-a]pyridine-2-carboxamide;N-[(1R)-1-(4-piperazin-1-ylphenyl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]ethyl]imidazo[1,2-a]pyridine-2-carboxamide;N-[(1R)-1-(4-piperazin-1-ylphenyl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-[(1R)-1-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]ethyl]imidazo[1,2-a]pyridine-2-carboxamide;N-[(1R)-1-(4-piperazin-1-ylphenyl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide is C[C@@H](NC(=O)c1cn2ccccc2n1)c1ccc(N2CCN(S(C)(=O)=O)CC2)cc1.C[C@@H](NC(=O)c1cn2ccccc2n1)c1ccc(N2CCNCC2)cc1.
What is the InChIKey of N-[(1R)-1-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]ethyl]imidazo[1,2-a]pyridine-2-carboxamide;N-[(1R)-1-(4-piperazin-1-ylphenyl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is ANXCVOBNTSPGTL-YJNKZXLUSA-N. The full InChI is InChI=1S/C21H25N5O3S.C20H23N5O/c1-16(22-21(27)19-15-25-10-4-3-5-20(25)23-19)17-6-8-18(9-7-17)24-11-13-26(14-12-24)30(2,28)29;1-15(16-5-7-17(8-6-16)24-12-9-21-10-13-24)22-20(26)18-14-25-11-3-2-4-19(25)23-18/h3-10,15-16H,11-14H2,1-2H3,(H,22,27);2-8,11,14-15,21H,9-10,12-13H2,1H3,(H,22,26)/t16-;15-/m11/s1.
What are the key properties of N-[(1R)-1-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]ethyl]imidazo[1,2-a]pyridine-2-carboxamide;N-[(1R)-1-(4-piperazin-1-ylphenyl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide?
N-[(1R)-1-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]ethyl]imidazo[1,2-a]pyridine-2-carboxamide;N-[(1R)-1-(4-piperazin-1-ylphenyl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 776.97 g/mol, XLogP of 4.14, 9 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]ethyl]imidazo[1,2-a]pyridine-2-carboxamide;N-[(1R)-1-(4-piperazin-1-ylphenyl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 157175003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).