3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-N-[5-(methylamino)-5-oxopentyl]imidazo[1,2-a]pyridine-7-carboxamide

C25H28N6O2 — CID 166673031

IUPAC3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-N-[5-(methylamino)-5-oxopentyl]imidazo[1,2-a]pyridine-7-carboxamide
SMILESCNC(=O)CCCCNC(=O)c1ccn2c(-c3cccc(-n4nc(C)cc4C)c3)cnc2c1
InChIInChI=1S/C25H28N6O2/c1-17-13-18(2)31(29-17)21-8-6-7-19(14-21)22-16-28-23-15-20(10-12-30(22)23)25(33)27-11-5-4-9-24(32)26-3/h6-8,10,12-16H,4-5,9,11H2,1-3H3,(H,26,32)(H,27,33)
InChIKeyXYFDWGNAJSDYFQ-UHFFFAOYSA-N
MW444.54 g/mol
LogP3.45
Rot. Bonds8

About 3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-N-[5-(methylamino)-5-oxopentyl]imidazo[1,2-a]pyridine-7-carboxamide

3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-N-[5-(methylamino)-5-oxopentyl]imidazo[1,2-a]pyridine-7-carboxamide (PubChem CID 166673031) has the molecular formula C25H28N6O2 and a molecular weight of 444.54 g/mol. Its IUPAC name is 3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-N-[5-(methylamino)-5-oxopentyl]imidazo[1,2-a]pyridine-7-carboxamide.

Molecular Properties

Compound Name3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-N-[5-(methylamino)-5-oxopentyl]imidazo[1,2-a]pyridine-7-carboxamide
PubChem CID166673031
Molecular FormulaC25H28N6O2
Molecular Weight444.54 g/mol
Exact Mass444.23
IUPAC Name3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-N-[5-(methylamino)-5-oxopentyl]imidazo[1,2-a]pyridine-7-carboxamide
SMILESCNC(=O)CCCCNC(=O)c1ccn2c(-c3cccc(-n4nc(C)cc4C)c3)cnc2c1
InChIInChI=1S/C25H28N6O2/c1-17-13-18(2)31(29-17)21-8-6-7-19(14-21)22-16-28-23-15-20(10-12-30(22)23)25(33)27-11-5-4-9-24(32)26-3/h6-8,10,12-16H,4-5,9,11H2,1-3H3,(H,26,32)(H,27,33)
InChIKeyXYFDWGNAJSDYFQ-UHFFFAOYSA-N
XLogP3.45
TPSA93.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S)-2-cyclopropyl-2-[[3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]imidazo[1,2-a]pyridine-7-carbonyl]amino]acetate
CID 166672988
3-(3,5-dimethylpyrazol-1-yl)-N-(2-methylsulfonylethyl)benzamide
CID 72859306
3-(4-hydroxy-3,5-dimethylphenyl)-N-[4-(methylamino)-4-oxobutyl]benzamide
CID 118761816
CID 58656859
CID 58656859
N-(3-aminopropyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 119408817
N-[6-(3,5-dimethylpyrazol-1-yl)-6-oxohexyl]benzamide
CID 6486736
4-(3,5-dimethylpyrazol-1-yl)-N-[3-(2-hydroxyethoxy)propyl]benzamide
CID 110022369
1-[2-[3-[3-(methylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrimidin-5-yl]ethanone
CID 138548206
4-amino-4-[3-(3-iodophenyl)imidazo[1,2-a]pyridin-7-yl]but-3-en-2-one
CID 143706846
3-[3-[3-[2-(dimethylamino)ethylcarbamoyl]phenyl]imidazo[1,2-b]pyridazin-6-yl]-N-methylbenzamide
CID 71729713
4-(3,5-dimethylpyrazol-1-yl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)benzamide
CID 70706606
6-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl-methylamino]-N,N-dimethylpyridine-3-carboxamide
CID 134703926

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-N-[5-(methylamino)-5-oxopentyl]imidazo[1,2-a]pyridine-7-carboxamide?
The IUPAC name of 3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-N-[5-(methylamino)-5-oxopentyl]imidazo[1,2-a]pyridine-7-carboxamide (CID 166673031) is 3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-N-[5-(methylamino)-5-oxopentyl]imidazo[1,2-a]pyridine-7-carboxamide.
What is the SMILES notation for 3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-N-[5-(methylamino)-5-oxopentyl]imidazo[1,2-a]pyridine-7-carboxamide?
The canonical SMILES for 3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-N-[5-(methylamino)-5-oxopentyl]imidazo[1,2-a]pyridine-7-carboxamide is CNC(=O)CCCCNC(=O)c1ccn2c(-c3cccc(-n4nc(C)cc4C)c3)cnc2c1.
What is the InChIKey of 3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-N-[5-(methylamino)-5-oxopentyl]imidazo[1,2-a]pyridine-7-carboxamide?
The InChIKey is XYFDWGNAJSDYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O2/c1-17-13-18(2)31(29-17)21-8-6-7-19(14-21)22-16-28-23-15-20(10-12-30(22)23)25(33)27-11-5-4-9-24(32)26-3/h6-8,10,12-16H,4-5,9,11H2,1-3H3,(H,26,32)(H,27,33).
What are the key properties of 3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-N-[5-(methylamino)-5-oxopentyl]imidazo[1,2-a]pyridine-7-carboxamide?
3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-N-[5-(methylamino)-5-oxopentyl]imidazo[1,2-a]pyridine-7-carboxamide has a molecular weight of 444.54 g/mol, XLogP of 3.45, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-N-[5-(methylamino)-5-oxopentyl]imidazo[1,2-a]pyridine-7-carboxamide is sourced from PubChem (CID 166673031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).