6-(4-methoxyphenyl)-N-(2-methylpropyl)-3-pyrrolidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C22H26N4O3 — CID 134791082

IUPAC6-(4-methoxyphenyl)-N-(2-methylpropyl)-3-pyrrolidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCC(C)C)c3c(C4CCNC4)noc3n2)cc1
InChIInChI=1S/C22H26N4O3/c1-13(2)11-24-21(27)17-10-18(14-4-6-16(28-3)7-5-14)25-22-19(17)20(26-29-22)15-8-9-23-12-15/h4-7,10,13,15,23H,8-9,11-12H2,1-3H3,(H,24,27)
InChIKeyVSIBPLIVAQFKEL-UHFFFAOYSA-N
MW394.48 g/mol
LogP3.36
Rot. Bonds6

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

6-(4-methoxyphenyl)-N-(2-methylpropyl)-3-pyrrolidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 134791082) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-N-(2-methylpropyl)-3-pyrrolidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-N-(2-methylpropyl)-3-pyrrolidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID134791082
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name6-(4-methoxyphenyl)-N-(2-methylpropyl)-3-pyrrolidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCC(C)C)c3c(C4CCNC4)noc3n2)cc1
InChIInChI=1S/C22H26N4O3/c1-13(2)11-24-21(27)17-10-18(14-4-6-16(28-3)7-5-14)25-22-19(17)20(26-29-22)15-8-9-23-12-15/h4-7,10,13,15,23H,8-9,11-12H2,1-3H3,(H,24,27)
InChIKeyVSIBPLIVAQFKEL-UHFFFAOYSA-N
XLogP3.36
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-N-(2-methylpropyl)-3-pyrrolidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(4-methoxyphenyl)-N-(2-methylpropyl)-3-pyrrolidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 134791082) is 6-(4-methoxyphenyl)-N-(2-methylpropyl)-3-pyrrolidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(4-methoxyphenyl)-N-(2-methylpropyl)-3-pyrrolidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(4-methoxyphenyl)-N-(2-methylpropyl)-3-pyrrolidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is COc1ccc(-c2cc(C(=O)NCC(C)C)c3c(C4CCNC4)noc3n2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-N-(2-methylpropyl)-3-pyrrolidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is VSIBPLIVAQFKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-13(2)11-24-21(27)17-10-18(14-4-6-16(28-3)7-5-14)25-22-19(17)20(26-29-22)15-8-9-23-12-15/h4-7,10,13,15,23H,8-9,11-12H2,1-3H3,(H,24,27).
What are the key properties of 6-(4-methoxyphenyl)-N-(2-methylpropyl)-3-pyrrolidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
6-(4-methoxyphenyl)-N-(2-methylpropyl)-3-pyrrolidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-N-(2-methylpropyl)-3-pyrrolidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 134791082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).