N-[6-[5-(methanesulfonamido)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]acetamide;2,2,2-trifluoroacetaldehyde

C17H16F3N5O4S — CID 159862966

IUPACN-[6-[5-(methanesulfonamido)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]acetamide;2,2,2-trifluoroacetaldehyde
SMILESCC(=O)Nc1cn2cc(-c3cncc(NS(C)(=O)=O)c3)ccc2n1.O=CC(F)(F)F
InChIInChI=1S/C15H15N5O3S.C2HF3O/c1-10(21)17-14-9-20-8-11(3-4-15(20)18-14)12-5-13(7-16-6-12)19-24(2,22)23;3-2(4,5)1-6/h3-9,19H,1-2H3,(H,17,21);1H
InChIKeyNRJNOHAUYGTWBK-UHFFFAOYSA-N
MW443.41 g/mol
LogP2.47
Rot. Bonds4

About N-[6-[5-(methanesulfonamido)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]acetamide;2,2,2-trifluoroacetaldehyde

N-[6-[5-(methanesulfonamido)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]acetamide;2,2,2-trifluoroacetaldehyde (PubChem CID 159862966) has the molecular formula C17H16F3N5O4S and a molecular weight of 443.41 g/mol. Its IUPAC name is N-[6-[5-(methanesulfonamido)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]acetamide;2,2,2-trifluoroacetaldehyde.

Molecular Properties

Compound NameN-[6-[5-(methanesulfonamido)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]acetamide;2,2,2-trifluoroacetaldehyde
PubChem CID159862966
Molecular FormulaC17H16F3N5O4S
Molecular Weight443.41 g/mol
Exact Mass443.09
IUPAC NameN-[6-[5-(methanesulfonamido)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]acetamide;2,2,2-trifluoroacetaldehyde
SMILESCC(=O)Nc1cn2cc(-c3cncc(NS(C)(=O)=O)c3)ccc2n1.O=CC(F)(F)F
InChIInChI=1S/C15H15N5O3S.C2HF3O/c1-10(21)17-14-9-20-8-11(3-4-15(20)18-14)12-5-13(7-16-6-12)19-24(2,22)23;3-2(4,5)1-6/h3-9,19H,1-2H3,(H,17,21);1H
InChIKeyNRJNOHAUYGTWBK-UHFFFAOYSA-N
XLogP2.47
TPSA122.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.41
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[6-[5-[[hydroxy-(hydroxymethyl)-methyl-λ4-sulfanyl]amino]-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]acetamide
CID 68755323
2,2,2-trifluoro-N-[6-(3-methylsulfonylphenyl)imidazo[1,2-a]pyridin-2-yl]acetamide
CID 87563410
N-[3-[5-[4-(methanesulfonamido)phenyl]-3-pyridinyl]phenyl]acetamide
CID 155560591
N-[6-[6-amino-5-[(E)-(dimethylhydrazinylidene)methyl]-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]acetamide
CID 59251689
N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]but-2-enamide
CID 68528343
N-[3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]methanesulfonamide
CID 162535328
N-[6-[6-amino-5-(4-morpholin-4-ylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]acetamide
CID 59251937
N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-2-(methylamino)acetamide
CID 59251961
N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-4-fluorobenzamide
CID 59252002
N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-6-(methylamino)hexanamide
CID 71171122
fluoromethane;N-[6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-2-yl]acetamide;molecular hydrogen
CID 154686437
tert-butyl 4-[5-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-2-aminopyridine-3-carbonyl]piperazine-1-carboxylate
CID 59252089

Frequently Asked Questions

What is the IUPAC name of N-[6-[5-(methanesulfonamido)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]acetamide;2,2,2-trifluoroacetaldehyde?
The IUPAC name of N-[6-[5-(methanesulfonamido)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]acetamide;2,2,2-trifluoroacetaldehyde (CID 159862966) is N-[6-[5-(methanesulfonamido)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]acetamide;2,2,2-trifluoroacetaldehyde.
What is the SMILES notation for N-[6-[5-(methanesulfonamido)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]acetamide;2,2,2-trifluoroacetaldehyde?
The canonical SMILES for N-[6-[5-(methanesulfonamido)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]acetamide;2,2,2-trifluoroacetaldehyde is CC(=O)Nc1cn2cc(-c3cncc(NS(C)(=O)=O)c3)ccc2n1.O=CC(F)(F)F.
What is the InChIKey of N-[6-[5-(methanesulfonamido)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]acetamide;2,2,2-trifluoroacetaldehyde?
The InChIKey is NRJNOHAUYGTWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3S.C2HF3O/c1-10(21)17-14-9-20-8-11(3-4-15(20)18-14)12-5-13(7-16-6-12)19-24(2,22)23;3-2(4,5)1-6/h3-9,19H,1-2H3,(H,17,21);1H.
What are the key properties of N-[6-[5-(methanesulfonamido)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]acetamide;2,2,2-trifluoroacetaldehyde?
N-[6-[5-(methanesulfonamido)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]acetamide;2,2,2-trifluoroacetaldehyde has a molecular weight of 443.41 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[5-(methanesulfonamido)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]acetamide;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 159862966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).