N-[[5-[[4-cyano-2-(1-methylpyrazol-4-yl)phenoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]imidazo[1,2-a]pyridine-6-carboxamide

C24H21N7O3 — CID 90286602

IUPACN-[[5-[[4-cyano-2-(1-methylpyrazol-4-yl)phenoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCn1cc(-c2cc(C#N)ccc2OCC2CC(CNC(=O)c3ccc4nccn4c3)=NO2)cn1
InChIInChI=1S/C24H21N7O3/c1-30-13-18(11-28-30)21-8-16(10-25)2-4-22(21)33-15-20-9-19(29-34-20)12-27-24(32)17-3-5-23-26-6-7-31(23)14-17/h2-8,11,13-14,20H,9,12,15H2,1H3,(H,27,32)
InChIKeyLMJZBLWDGGNCTO-UHFFFAOYSA-N
MW455.48 g/mol
LogP2.56
Rot. Bonds7

About N-[[5-[[4-cyano-2-(1-methylpyrazol-4-yl)phenoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]imidazo[1,2-a]pyridine-6-carboxamide

N-[[5-[[4-cyano-2-(1-methylpyrazol-4-yl)phenoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 90286602) has the molecular formula C24H21N7O3 and a molecular weight of 455.48 g/mol. Its IUPAC name is N-[[5-[[4-cyano-2-(1-methylpyrazol-4-yl)phenoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[[5-[[4-cyano-2-(1-methylpyrazol-4-yl)phenoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID90286602
Molecular FormulaC24H21N7O3
Molecular Weight455.48 g/mol
Exact Mass455.17
IUPAC NameN-[[5-[[4-cyano-2-(1-methylpyrazol-4-yl)phenoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCn1cc(-c2cc(C#N)ccc2OCC2CC(CNC(=O)c3ccc4nccn4c3)=NO2)cn1
InChIInChI=1S/C24H21N7O3/c1-30-13-18(11-28-30)21-8-16(10-25)2-4-22(21)33-15-20-9-19(29-34-20)12-27-24(32)17-3-5-23-26-6-7-31(23)14-17/h2-8,11,13-14,20H,9,12,15H2,1H3,(H,27,32)
InChIKeyLMJZBLWDGGNCTO-UHFFFAOYSA-N
XLogP2.56
TPSA118.83 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.48
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[[5-[[4-cyano-2-(1-methylpyrazol-4-yl)phenoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]imidazo[1,2-a]pyridine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[[4-cyano-2-(1-methylpyrazol-4-yl)phenoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-[[5-[[4-cyano-2-(1-methylpyrazol-4-yl)phenoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]imidazo[1,2-a]pyridine-6-carboxamide (CID 90286602) is N-[[5-[[4-cyano-2-(1-methylpyrazol-4-yl)phenoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[[5-[[4-cyano-2-(1-methylpyrazol-4-yl)phenoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-[[5-[[4-cyano-2-(1-methylpyrazol-4-yl)phenoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]imidazo[1,2-a]pyridine-6-carboxamide is Cn1cc(-c2cc(C#N)ccc2OCC2CC(CNC(=O)c3ccc4nccn4c3)=NO2)cn1.
What is the InChIKey of N-[[5-[[4-cyano-2-(1-methylpyrazol-4-yl)phenoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is LMJZBLWDGGNCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N7O3/c1-30-13-18(11-28-30)21-8-16(10-25)2-4-22(21)33-15-20-9-19(29-34-20)12-27-24(32)17-3-5-23-26-6-7-31(23)14-17/h2-8,11,13-14,20H,9,12,15H2,1H3,(H,27,32).
What are the key properties of N-[[5-[[4-cyano-2-(1-methylpyrazol-4-yl)phenoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
N-[[5-[[4-cyano-2-(1-methylpyrazol-4-yl)phenoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 455.48 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[4-cyano-2-(1-methylpyrazol-4-yl)phenoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 90286602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).