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

C23H24N4O4 — CID 134802400

IUPAC6-cyclopropyl-3-[1-(3-methoxybenzoyl)pyrrolidin-3-yl]-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCNC(=O)c1cc(C2CC2)nc2onc(C3CCN(C(=O)c4cccc(OC)c4)C3)c12
InChIInChI=1S/C23H24N4O4/c1-24-21(28)17-11-18(13-6-7-13)25-22-19(17)20(26-31-22)15-8-9-27(12-15)23(29)14-4-3-5-16(10-14)30-2/h3-5,10-11,13,15H,6-9,12H2,1-2H3,(H,24,28)
InChIKeyKITSKBOAIDMZJG-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.10
Rot. Bonds5

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

6-cyclopropyl-3-[1-(3-methoxybenzoyl)pyrrolidin-3-yl]-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 134802400) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is 6-cyclopropyl-3-[1-(3-methoxybenzoyl)pyrrolidin-3-yl]-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-3-[1-(3-methoxybenzoyl)pyrrolidin-3-yl]-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID134802400
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC Name6-cyclopropyl-3-[1-(3-methoxybenzoyl)pyrrolidin-3-yl]-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCNC(=O)c1cc(C2CC2)nc2onc(C3CCN(C(=O)c4cccc(OC)c4)C3)c12
InChIInChI=1S/C23H24N4O4/c1-24-21(28)17-11-18(13-6-7-13)25-22-19(17)20(26-31-22)15-8-9-27(12-15)23(29)14-4-3-5-16(10-14)30-2/h3-5,10-11,13,15H,6-9,12H2,1-2H3,(H,24,28)
InChIKeyKITSKBOAIDMZJG-UHFFFAOYSA-N
XLogP3.10
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-[1-(3-methoxybenzoyl)pyrrolidin-3-yl]-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-3-[1-(3-methoxybenzoyl)pyrrolidin-3-yl]-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 134802400) is 6-cyclopropyl-3-[1-(3-methoxybenzoyl)pyrrolidin-3-yl]-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-3-[1-(3-methoxybenzoyl)pyrrolidin-3-yl]-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-3-[1-(3-methoxybenzoyl)pyrrolidin-3-yl]-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is CNC(=O)c1cc(C2CC2)nc2onc(C3CCN(C(=O)c4cccc(OC)c4)C3)c12.
What is the InChIKey of 6-cyclopropyl-3-[1-(3-methoxybenzoyl)pyrrolidin-3-yl]-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is KITSKBOAIDMZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-24-21(28)17-11-18(13-6-7-13)25-22-19(17)20(26-31-22)15-8-9-27(12-15)23(29)14-4-3-5-16(10-14)30-2/h3-5,10-11,13,15H,6-9,12H2,1-2H3,(H,24,28).
What are the key properties of 6-cyclopropyl-3-[1-(3-methoxybenzoyl)pyrrolidin-3-yl]-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
6-cyclopropyl-3-[1-(3-methoxybenzoyl)pyrrolidin-3-yl]-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 420.47 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-[1-(3-methoxybenzoyl)pyrrolidin-3-yl]-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 134802400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).