3-(3-methoxyphenyl)-6-methyl-N-(3-pyrazol-1-ylpropyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C21H21N5O3 — CID 44825002

IUPAC3-(3-methoxyphenyl)-6-methyl-N-(3-pyrazol-1-ylpropyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1cccc(-c2noc3nc(C)cc(C(=O)NCCCn4cccn4)c23)c1
InChIInChI=1S/C21H21N5O3/c1-14-12-17(20(27)22-8-4-10-26-11-5-9-23-26)18-19(25-29-21(18)24-14)15-6-3-7-16(13-15)28-2/h3,5-7,9,11-13H,4,8,10H2,1-2H3,(H,22,27)
InChIKeyFUXKAAPUCMUKFT-UHFFFAOYSA-N
MW391.43 g/mol
LogP3.22
Rot. Bonds7

About 3-(3-methoxyphenyl)-6-methyl-N-(3-pyrazol-1-ylpropyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

3-(3-methoxyphenyl)-6-methyl-N-(3-pyrazol-1-ylpropyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 44825002) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-6-methyl-N-(3-pyrazol-1-ylpropyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-6-methyl-N-(3-pyrazol-1-ylpropyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID44825002
Molecular FormulaC21H21N5O3
Molecular Weight391.43 g/mol
Exact Mass391.16
IUPAC Name3-(3-methoxyphenyl)-6-methyl-N-(3-pyrazol-1-ylpropyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1cccc(-c2noc3nc(C)cc(C(=O)NCCCn4cccn4)c23)c1
InChIInChI=1S/C21H21N5O3/c1-14-12-17(20(27)22-8-4-10-26-11-5-9-23-26)18-19(25-29-21(18)24-14)15-6-3-7-16(13-15)28-2/h3,5-7,9,11-13H,4,8,10H2,1-2H3,(H,22,27)
InChIKeyFUXKAAPUCMUKFT-UHFFFAOYSA-N
XLogP3.22
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-6-methyl-N-(3-pyrazol-1-ylpropyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 3-(3-methoxyphenyl)-6-methyl-N-(3-pyrazol-1-ylpropyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 44825002) is 3-(3-methoxyphenyl)-6-methyl-N-(3-pyrazol-1-ylpropyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 3-(3-methoxyphenyl)-6-methyl-N-(3-pyrazol-1-ylpropyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 3-(3-methoxyphenyl)-6-methyl-N-(3-pyrazol-1-ylpropyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is COc1cccc(-c2noc3nc(C)cc(C(=O)NCCCn4cccn4)c23)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-6-methyl-N-(3-pyrazol-1-ylpropyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is FUXKAAPUCMUKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3/c1-14-12-17(20(27)22-8-4-10-26-11-5-9-23-26)18-19(25-29-21(18)24-14)15-6-3-7-16(13-15)28-2/h3,5-7,9,11-13H,4,8,10H2,1-2H3,(H,22,27).
What are the key properties of 3-(3-methoxyphenyl)-6-methyl-N-(3-pyrazol-1-ylpropyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
3-(3-methoxyphenyl)-6-methyl-N-(3-pyrazol-1-ylpropyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 391.43 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-6-methyl-N-(3-pyrazol-1-ylpropyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 44825002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).