3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide

C18H16ClN5O3 — CID 18151405

IUPAC3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
SMILESCc1nn(C)c2ncc(NC(=O)CCn3c(=O)oc4cc(Cl)ccc43)cc12
InChIInChI=1S/C18H16ClN5O3/c1-10-13-8-12(9-20-17(13)23(2)22-10)21-16(25)5-6-24-14-4-3-11(19)7-15(14)27-18(24)26/h3-4,7-9H,5-6H2,1-2H3,(H,21,25)
InChIKeyUMIWKVOAMYADOB-UHFFFAOYSA-N
MW385.81 g/mol
LogP2.87
Rot. Bonds4

About 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide

3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide (PubChem CID 18151405) has the molecular formula C18H16ClN5O3 and a molecular weight of 385.81 g/mol. Its IUPAC name is 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide.

Molecular Properties

Compound Name3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
PubChem CID18151405
Molecular FormulaC18H16ClN5O3
Molecular Weight385.81 g/mol
Exact Mass385.09
IUPAC Name3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
SMILESCc1nn(C)c2ncc(NC(=O)CCn3c(=O)oc4cc(Cl)ccc43)cc12
InChIInChI=1S/C18H16ClN5O3/c1-10-13-8-12(9-20-17(13)23(2)22-10)21-16(25)5-6-24-14-4-3-11(19)7-15(14)27-18(24)26/h3-4,7-9H,5-6H2,1-2H3,(H,21,25)
InChIKeyUMIWKVOAMYADOB-UHFFFAOYSA-N
XLogP2.87
TPSA94.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.81
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-quinolin-3-ylpropanamide
CID 18146539
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N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide
CID 24626387
3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(4-methoxyphenyl)propanamide
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3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[4-(diethylsulfamoyl)phenyl]propanamide
CID 17308490
methyl 4-[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoylamino]benzoate
CID 9138841
3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(4-propylphenyl)propanamide
CID 9225411
4-chloro-N-[4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)amino]-4-oxobutyl]benzamide
CID 134024922
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 8986816
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 24626413
ethyl 3-[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoylamino]benzoate
CID 9228382
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide?
The IUPAC name of 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide (CID 18151405) is 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide.
What is the SMILES notation for 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide?
The canonical SMILES for 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide is Cc1nn(C)c2ncc(NC(=O)CCn3c(=O)oc4cc(Cl)ccc43)cc12.
What is the InChIKey of 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide?
The InChIKey is UMIWKVOAMYADOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5O3/c1-10-13-8-12(9-20-17(13)23(2)22-10)21-16(25)5-6-24-14-4-3-11(19)7-15(14)27-18(24)26/h3-4,7-9H,5-6H2,1-2H3,(H,21,25).
What are the key properties of 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide?
3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide has a molecular weight of 385.81 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide is sourced from PubChem (CID 18151405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).