2-[3-(3-hydroxypropylsulfamoylamino)phenyl]-N-propan-2-ylimidazo[1,2-a]pyridine-6-carboxamide

C20H25N5O4S — CID 155597710

IUPAC2-[3-(3-hydroxypropylsulfamoylamino)phenyl]-N-propan-2-ylimidazo[1,2-a]pyridine-6-carboxamide
SMILESCC(C)NC(=O)c1ccc2nc(-c3cccc(NS(=O)(=O)NCCCO)c3)cn2c1
InChIInChI=1S/C20H25N5O4S/c1-14(2)22-20(27)16-7-8-19-23-18(13-25(19)12-16)15-5-3-6-17(11-15)24-30(28,29)21-9-4-10-26/h3,5-8,11-14,21,24,26H,4,9-10H2,1-2H3,(H,22,27)
InChIKeyHINXXDMXGYDCOK-UHFFFAOYSA-N
MW431.52 g/mol
LogP1.77
Rot. Bonds9

About 2-[3-(3-hydroxypropylsulfamoylamino)phenyl]-N-propan-2-ylimidazo[1,2-a]pyridine-6-carboxamide

2-[3-(3-hydroxypropylsulfamoylamino)phenyl]-N-propan-2-ylimidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 155597710) has the molecular formula C20H25N5O4S and a molecular weight of 431.52 g/mol. Its IUPAC name is 2-[3-(3-hydroxypropylsulfamoylamino)phenyl]-N-propan-2-ylimidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-[3-(3-hydroxypropylsulfamoylamino)phenyl]-N-propan-2-ylimidazo[1,2-a]pyridine-6-carboxamide
PubChem CID155597710
Molecular FormulaC20H25N5O4S
Molecular Weight431.52 g/mol
Exact Mass431.16
IUPAC Name2-[3-(3-hydroxypropylsulfamoylamino)phenyl]-N-propan-2-ylimidazo[1,2-a]pyridine-6-carboxamide
SMILESCC(C)NC(=O)c1ccc2nc(-c3cccc(NS(=O)(=O)NCCCO)c3)cn2c1
InChIInChI=1S/C20H25N5O4S/c1-14(2)22-20(27)16-7-8-19-23-18(13-25(19)12-16)15-5-3-6-17(11-15)24-30(28,29)21-9-4-10-26/h3,5-8,11-14,21,24,26H,4,9-10H2,1-2H3,(H,22,27)
InChIKeyHINXXDMXGYDCOK-UHFFFAOYSA-N
XLogP1.77
TPSA124.83 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 51.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclobutyl-2-[3-[2-(4-methoxypiperidin-1-yl)ethylsulfamoylamino]phenyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 164936389
2-[4-[[difluoro(oxo)-λ6-sulfanylidene]amino]phenyl]-N-propan-2-ylimidazo[1,2-a]pyridine-6-carboxamide
CID 155597673
2-phenyl-N-[(1R)-1-(2H-tetrazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 97207911
N-[(1R)-2-(methylamino)-2-oxo-1-phenylethyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
CID 96571883
N-cyclobutyl-8-[3-[2-[[3-[6-(cyclobutylcarbamoyl)imidazo[1,2-a]pyridin-2-yl]phenyl]sulfamoylamino]ethyl]-1,3-oxazinan-6-yl]-2-[3-[2-(1H-imidazol-5-yl)ethylsulfamoylamino]phenyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 160682518
N-[3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]methanesulfonamide
CID 162535328
N-[3-(6-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-4-butylbenzamide
CID 42737411
2-phenyl-N-[(2S)-4-pyrazol-1-ylbutan-2-yl]imidazo[1,2-a]pyridine-6-carboxamide
CID 97198705
2-phenyl-N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 97196202
N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]butane-1-sulfonamide
CID 122284854
2-(4-methoxyphenyl)imidazo[1,2-a]pyridine-6-carbohydrazide
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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-hydroxypropylsulfamoylamino)phenyl]-N-propan-2-ylimidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of 2-[3-(3-hydroxypropylsulfamoylamino)phenyl]-N-propan-2-ylimidazo[1,2-a]pyridine-6-carboxamide (CID 155597710) is 2-[3-(3-hydroxypropylsulfamoylamino)phenyl]-N-propan-2-ylimidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for 2-[3-(3-hydroxypropylsulfamoylamino)phenyl]-N-propan-2-ylimidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for 2-[3-(3-hydroxypropylsulfamoylamino)phenyl]-N-propan-2-ylimidazo[1,2-a]pyridine-6-carboxamide is CC(C)NC(=O)c1ccc2nc(-c3cccc(NS(=O)(=O)NCCCO)c3)cn2c1.
What is the InChIKey of 2-[3-(3-hydroxypropylsulfamoylamino)phenyl]-N-propan-2-ylimidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is HINXXDMXGYDCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O4S/c1-14(2)22-20(27)16-7-8-19-23-18(13-25(19)12-16)15-5-3-6-17(11-15)24-30(28,29)21-9-4-10-26/h3,5-8,11-14,21,24,26H,4,9-10H2,1-2H3,(H,22,27).
What are the key properties of 2-[3-(3-hydroxypropylsulfamoylamino)phenyl]-N-propan-2-ylimidazo[1,2-a]pyridine-6-carboxamide?
2-[3-(3-hydroxypropylsulfamoylamino)phenyl]-N-propan-2-ylimidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 431.52 g/mol, XLogP of 1.77, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-hydroxypropylsulfamoylamino)phenyl]-N-propan-2-ylimidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 155597710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).