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

C22H21N7O3 — CID 118679356

IUPACN-[[5-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]oxymethyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCn1cc(-c2ncccc2OCC2CC(CNC(=O)c3ccc4nccn4c3)=NO2)cn1
InChIInChI=1S/C22H21N7O3/c1-28-12-16(10-26-28)21-19(3-2-6-24-21)31-14-18-9-17(27-32-18)11-25-22(30)15-4-5-20-23-7-8-29(20)13-15/h2-8,10,12-13,18H,9,11,14H2,1H3,(H,25,30)
InChIKeyUONHFUQKSUQCSJ-UHFFFAOYSA-N
MW431.46 g/mol
LogP2.08
Rot. Bonds7

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

N-[[5-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]oxymethyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 118679356) has the molecular formula C22H21N7O3 and a molecular weight of 431.46 g/mol. Its IUPAC name is N-[[5-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]oxymethyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[[5-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]oxymethyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID118679356
Molecular FormulaC22H21N7O3
Molecular Weight431.46 g/mol
Exact Mass431.17
IUPAC NameN-[[5-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]oxymethyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCn1cc(-c2ncccc2OCC2CC(CNC(=O)c3ccc4nccn4c3)=NO2)cn1
InChIInChI=1S/C22H21N7O3/c1-28-12-16(10-26-28)21-19(3-2-6-24-21)31-14-18-9-17(27-32-18)11-25-22(30)15-4-5-20-23-7-8-29(20)13-15/h2-8,10,12-13,18H,9,11,14H2,1H3,(H,25,30)
InChIKeyUONHFUQKSUQCSJ-UHFFFAOYSA-N
XLogP2.08
TPSA107.93 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.46
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[[5-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]oxymethyl]-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-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]oxymethyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-[[5-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]oxymethyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]imidazo[1,2-a]pyridine-6-carboxamide (CID 118679356) is N-[[5-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]oxymethyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[[5-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]oxymethyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-[[5-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]oxymethyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]imidazo[1,2-a]pyridine-6-carboxamide is Cn1cc(-c2ncccc2OCC2CC(CNC(=O)c3ccc4nccn4c3)=NO2)cn1.
What is the InChIKey of N-[[5-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]oxymethyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is UONHFUQKSUQCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O3/c1-28-12-16(10-26-28)21-19(3-2-6-24-21)31-14-18-9-17(27-32-18)11-25-22(30)15-4-5-20-23-7-8-29(20)13-15/h2-8,10,12-13,18H,9,11,14H2,1H3,(H,25,30).
What are the key properties of N-[[5-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]oxymethyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
N-[[5-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]oxymethyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 431.46 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]oxymethyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 118679356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).