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

C23H23N5O3 — CID 44824945

IUPAC6-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCn1cc(CNC(=O)c2cc(C3CC3)nc3onc(-c4ccc(OC)cc4)c23)cn1
InChIInChI=1S/C23H23N5O3/c1-3-28-13-14(12-25-28)11-24-22(29)18-10-19(15-4-5-15)26-23-20(18)21(27-31-23)16-6-8-17(30-2)9-7-16/h6-10,12-13,15H,3-5,11H2,1-2H3,(H,24,29)
InChIKeyGEAIJIZPDLUNSL-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.92
Rot. Bonds7

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

6-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 44824945) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is 6-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID44824945
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC Name6-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCn1cc(CNC(=O)c2cc(C3CC3)nc3onc(-c4ccc(OC)cc4)c23)cn1
InChIInChI=1S/C23H23N5O3/c1-3-28-13-14(12-25-28)11-24-22(29)18-10-19(15-4-5-15)26-23-20(18)21(27-31-23)16-6-8-17(30-2)9-7-16/h6-10,12-13,15H,3-5,11H2,1-2H3,(H,24,29)
InChIKeyGEAIJIZPDLUNSL-UHFFFAOYSA-N
XLogP3.92
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1-ethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824754
N-[(1-ethylpyrazol-4-yl)methyl]-6-(4-fluorophenyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824402
6-cyclopropyl-3-(4-methoxyphenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824721
6-cyclopropyl-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-3-(4-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824825
3,6-dicyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 19588428
6-cyclopropyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(3-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824852
N-[(3-acetamidophenyl)methyl]-6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55721721
6-cyclopropyl-N-[2-(ethylamino)-2-oxoethyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55719868
6-cyclopropyl-N-(furan-2-ylmethyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55719913
6-cyclopropyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55719194
6-cyclopropyl-3-phenyl-N-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315419
6-cyclopropyl-N-[[4-(ethylcarbamoyl)phenyl]methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 86990003

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 44824945) is 6-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is CCn1cc(CNC(=O)c2cc(C3CC3)nc3onc(-c4ccc(OC)cc4)c23)cn1.
What is the InChIKey of 6-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is GEAIJIZPDLUNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3/c1-3-28-13-14(12-25-28)11-24-22(29)18-10-19(15-4-5-15)26-23-20(18)21(27-31-23)16-6-8-17(30-2)9-7-16/h6-10,12-13,15H,3-5,11H2,1-2H3,(H,24,29).
What are the key properties of 6-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
6-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 417.47 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 44824945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).