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

C22H22N4O3 — CID 134802431

IUPAC3-(1-benzoylpyrrolidin-2-yl)-6-cyclopropyl-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCNC(=O)c1cc(C2CC2)nc2onc(C3CCCN3C(=O)c3ccccc3)c12
InChIInChI=1S/C22H22N4O3/c1-23-20(27)15-12-16(13-9-10-13)24-21-18(15)19(25-29-21)17-8-5-11-26(17)22(28)14-6-3-2-4-7-14/h2-4,6-7,12-13,17H,5,8-11H2,1H3,(H,23,27)
InChIKeyKSBKXTOPJMKJFS-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.44
Rot. Bonds4

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

3-(1-benzoylpyrrolidin-2-yl)-6-cyclopropyl-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 134802431) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 3-(1-benzoylpyrrolidin-2-yl)-6-cyclopropyl-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-(1-benzoylpyrrolidin-2-yl)-6-cyclopropyl-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID134802431
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name3-(1-benzoylpyrrolidin-2-yl)-6-cyclopropyl-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCNC(=O)c1cc(C2CC2)nc2onc(C3CCCN3C(=O)c3ccccc3)c12
InChIInChI=1S/C22H22N4O3/c1-23-20(27)15-12-16(13-9-10-13)24-21-18(15)19(25-29-21)17-8-5-11-26(17)22(28)14-6-3-2-4-7-14/h2-4,6-7,12-13,17H,5,8-11H2,1H3,(H,23,27)
InChIKeyKSBKXTOPJMKJFS-UHFFFAOYSA-N
XLogP3.44
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-cyclopropyl-3-[1-(dimethylcarbamoyl)pyrrolidin-2-yl]-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 134801797
3-[1-(3-chlorobenzoyl)piperidin-3-yl]-6-cyclopropyl-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 134802019
3-[1-(4-chlorobenzoyl)piperidin-4-yl]-6-cyclopropyl-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 134801159
6-cyclopropyl-3-[1-(2-methoxybenzoyl)pyrrolidin-3-yl]-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 134802011
6-cyclopropyl-3-[1-(dimethylcarbamoyl)piperidin-4-yl]-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 134802045
6-cyclopropyl-N-methyl-3-[1-(morpholine-4-carbonyl)pyrrolidin-3-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 134802014
3-[1-[2-(3-chlorophenyl)acetyl]pyrrolidin-3-yl]-6-cyclopropyl-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 134802466
6-cyclopropyl-3-phenyl-N-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315419
[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
CID 52532452
3-[1-(4-fluorobenzoyl)piperidin-3-yl]-N,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 134801096
phenyl-[(2R)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 95052006
N-(2-chlorophenyl)-3,6-dicyclopropyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315198

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzoylpyrrolidin-2-yl)-6-cyclopropyl-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 3-(1-benzoylpyrrolidin-2-yl)-6-cyclopropyl-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 134802431) is 3-(1-benzoylpyrrolidin-2-yl)-6-cyclopropyl-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 3-(1-benzoylpyrrolidin-2-yl)-6-cyclopropyl-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 3-(1-benzoylpyrrolidin-2-yl)-6-cyclopropyl-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is CNC(=O)c1cc(C2CC2)nc2onc(C3CCCN3C(=O)c3ccccc3)c12.
What is the InChIKey of 3-(1-benzoylpyrrolidin-2-yl)-6-cyclopropyl-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is KSBKXTOPJMKJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-23-20(27)15-12-16(13-9-10-13)24-21-18(15)19(25-29-21)17-8-5-11-26(17)22(28)14-6-3-2-4-7-14/h2-4,6-7,12-13,17H,5,8-11H2,1H3,(H,23,27).
What are the key properties of 3-(1-benzoylpyrrolidin-2-yl)-6-cyclopropyl-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
3-(1-benzoylpyrrolidin-2-yl)-6-cyclopropyl-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 390.44 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzoylpyrrolidin-2-yl)-6-cyclopropyl-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 134802431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).