methyl 2-[[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate

C23H26N4O4 — CID 167817640

IUPACmethyl 2-[[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCOC(=O)c1c(CNC(=O)CCCc2ncc(-c3ccccc3)o2)nn2c1CCCC2
InChIInChI=1S/C23H26N4O4/c1-30-23(29)22-17(26-27-13-6-5-10-18(22)27)14-24-20(28)11-7-12-21-25-15-19(31-21)16-8-3-2-4-9-16/h2-4,8-9,15H,5-7,10-14H2,1H3,(H,24,28)
InChIKeyOXVASNNLKZFVLU-UHFFFAOYSA-N
MW422.49 g/mol
LogP3.30
Rot. Bonds8

About methyl 2-[[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate

methyl 2-[[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 167817640) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is methyl 2-[[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID167817640
Molecular FormulaC23H26N4O4
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC Namemethyl 2-[[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCOC(=O)c1c(CNC(=O)CCCc2ncc(-c3ccccc3)o2)nn2c1CCCC2
InChIInChI=1S/C23H26N4O4/c1-30-23(29)22-17(26-27-13-6-5-10-18(22)27)14-24-20(28)11-7-12-21-25-15-19(31-21)16-8-3-2-4-9-16/h2-4,8-9,15H,5-7,10-14H2,1H3,(H,24,28)
InChIKeyOXVASNNLKZFVLU-UHFFFAOYSA-N
XLogP3.30
TPSA99.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 38938009
methyl 4-[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]benzoate
CID 38886699
N-(2-hydroxypropyl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 78873748
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]propanamide
CID 55892038
methyl 2-[[[2-oxo-2-[(2-phenylpyrazol-3-yl)amino]acetyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate
CID 167899156
4-(5-phenyl-1,3-oxazol-2-yl)-N-(3-piperazin-1-ylpropyl)butanamide
CID 119390880
N-(1,3-benzothiazol-2-ylmethyl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 39703940
N-phenyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 38885502
4-(5-phenyl-1,3-oxazol-2-yl)-N-(piperidin-3-ylmethyl)butanamide;dihydrochloride
CID 119460102
N-[(5-phenyl-1,3-oxazol-2-yl)methyl]butanamide
CID 47176259
N-[2-(diethylamino)-2-phenylethyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 55686875
N-methyl-3-[[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]methyl]benzamide
CID 55690441

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of methyl 2-[[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate (CID 167817640) is methyl 2-[[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-[[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-[[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate is COC(=O)c1c(CNC(=O)CCCc2ncc(-c3ccccc3)o2)nn2c1CCCC2.
What is the InChIKey of methyl 2-[[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is OXVASNNLKZFVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4/c1-30-23(29)22-17(26-27-13-6-5-10-18(22)27)14-24-20(28)11-7-12-21-25-15-19(31-21)16-8-3-2-4-9-16/h2-4,8-9,15H,5-7,10-14H2,1H3,(H,24,28).
What are the key properties of methyl 2-[[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate?
methyl 2-[[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 422.49 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 167817640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).