3-(3-methoxyphenyl)-6-methyl-N-[3-(3-methylpyrazol-1-yl)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C22H23N5O3 — CID 44824897

IUPAC3-(3-methoxyphenyl)-6-methyl-N-[3-(3-methylpyrazol-1-yl)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1cccc(-c2noc3nc(C)cc(C(=O)NCCCn4ccc(C)n4)c23)c1
InChIInChI=1S/C22H23N5O3/c1-14-8-11-27(25-14)10-5-9-23-21(28)18-12-15(2)24-22-19(18)20(26-30-22)16-6-4-7-17(13-16)29-3/h4,6-8,11-13H,5,9-10H2,1-3H3,(H,23,28)
InChIKeyPFFQMPLRVUGWHY-UHFFFAOYSA-N
MW405.46 g/mol
LogP3.53
Rot. Bonds7

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

3-(3-methoxyphenyl)-6-methyl-N-[3-(3-methylpyrazol-1-yl)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 44824897) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-6-methyl-N-[3-(3-methylpyrazol-1-yl)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-6-methyl-N-[3-(3-methylpyrazol-1-yl)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID44824897
Molecular FormulaC22H23N5O3
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC Name3-(3-methoxyphenyl)-6-methyl-N-[3-(3-methylpyrazol-1-yl)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1cccc(-c2noc3nc(C)cc(C(=O)NCCCn4ccc(C)n4)c23)c1
InChIInChI=1S/C22H23N5O3/c1-14-8-11-27(25-14)10-5-9-23-21(28)18-12-15(2)24-22-19(18)20(26-30-22)16-6-4-7-17(13-16)29-3/h4,6-8,11-13H,5,9-10H2,1-3H3,(H,23,28)
InChIKeyPFFQMPLRVUGWHY-UHFFFAOYSA-N
XLogP3.53
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 53.53
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-(3-methylpyrazol-1-yl)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 3-(3-methoxyphenyl)-6-methyl-N-[3-(3-methylpyrazol-1-yl)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 44824897) is 3-(3-methoxyphenyl)-6-methyl-N-[3-(3-methylpyrazol-1-yl)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 3-(3-methoxyphenyl)-6-methyl-N-[3-(3-methylpyrazol-1-yl)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 3-(3-methoxyphenyl)-6-methyl-N-[3-(3-methylpyrazol-1-yl)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is COc1cccc(-c2noc3nc(C)cc(C(=O)NCCCn4ccc(C)n4)c23)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-6-methyl-N-[3-(3-methylpyrazol-1-yl)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is PFFQMPLRVUGWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3/c1-14-8-11-27(25-14)10-5-9-23-21(28)18-12-15(2)24-22-19(18)20(26-30-22)16-6-4-7-17(13-16)29-3/h4,6-8,11-13H,5,9-10H2,1-3H3,(H,23,28).
What are the key properties of 3-(3-methoxyphenyl)-6-methyl-N-[3-(3-methylpyrazol-1-yl)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
3-(3-methoxyphenyl)-6-methyl-N-[3-(3-methylpyrazol-1-yl)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 405.46 g/mol, XLogP of 3.53, 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-(3-methylpyrazol-1-yl)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 44824897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).