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

C23H23ClN4O3 — CID 134801159

IUPAC3-[1-(4-chlorobenzoyl)piperidin-4-yl]-6-cyclopropyl-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCNC(=O)c1cc(C2CC2)nc2onc(C3CCN(C(=O)c4ccc(Cl)cc4)CC3)c12
InChIInChI=1S/C23H23ClN4O3/c1-25-21(29)17-12-18(13-2-3-13)26-22-19(17)20(27-31-22)14-8-10-28(11-9-14)23(30)15-4-6-16(24)7-5-15/h4-7,12-14H,2-3,8-11H2,1H3,(H,25,29)
InChIKeyXMRCWTLQTOVMLJ-UHFFFAOYSA-N
MW438.92 g/mol
LogP4.13
Rot. Bonds4

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

3-[1-(4-chlorobenzoyl)piperidin-4-yl]-6-cyclopropyl-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 134801159) has the molecular formula C23H23ClN4O3 and a molecular weight of 438.92 g/mol. Its IUPAC name is 3-[1-(4-chlorobenzoyl)piperidin-4-yl]-6-cyclopropyl-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-[1-(4-chlorobenzoyl)piperidin-4-yl]-6-cyclopropyl-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID134801159
Molecular FormulaC23H23ClN4O3
Molecular Weight438.92 g/mol
Exact Mass438.15
IUPAC Name3-[1-(4-chlorobenzoyl)piperidin-4-yl]-6-cyclopropyl-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCNC(=O)c1cc(C2CC2)nc2onc(C3CCN(C(=O)c4ccc(Cl)cc4)CC3)c12
InChIInChI=1S/C23H23ClN4O3/c1-25-21(29)17-12-18(13-2-3-13)26-22-19(17)20(27-31-22)14-8-10-28(11-9-14)23(30)15-4-6-16(24)7-5-15/h4-7,12-14H,2-3,8-11H2,1H3,(H,25,29)
InChIKeyXMRCWTLQTOVMLJ-UHFFFAOYSA-N
XLogP4.13
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.92
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[1-(4-chlorobenzoyl)piperidin-4-yl]-6-cyclopropyl-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-cyclopropyl-3-[1-(dimethylcarbamoyl)piperidin-4-yl]-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 134802045
3-[1-(3-chlorobenzoyl)piperidin-3-yl]-6-cyclopropyl-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 134802019
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-N-methyl-3-[1-(morpholine-4-carbonyl)pyrrolidin-3-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 134802014
6-cyclopropyl-3-[1-(2-methoxybenzoyl)pyrrolidin-3-yl]-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 134802011
3-(1-benzoylpyrrolidin-2-yl)-6-cyclopropyl-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 134802431
6-cyclopropyl-3-[1-(dimethylcarbamoyl)pyrrolidin-2-yl]-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 134801797
3-[1-(4-fluorobenzoyl)piperidin-3-yl]-N,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 134801096
N-(2-chlorophenyl)-3,6-dicyclopropyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315198
3,6-dicyclopropyl-N-(3,4-difluorophenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44823754
3-[1-(2-methoxyacetyl)pyrrolidin-3-yl]-N,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 134802983
N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55777328

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-chlorobenzoyl)piperidin-4-yl]-6-cyclopropyl-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 3-[1-(4-chlorobenzoyl)piperidin-4-yl]-6-cyclopropyl-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 134801159) is 3-[1-(4-chlorobenzoyl)piperidin-4-yl]-6-cyclopropyl-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 3-[1-(4-chlorobenzoyl)piperidin-4-yl]-6-cyclopropyl-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 3-[1-(4-chlorobenzoyl)piperidin-4-yl]-6-cyclopropyl-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is CNC(=O)c1cc(C2CC2)nc2onc(C3CCN(C(=O)c4ccc(Cl)cc4)CC3)c12.
What is the InChIKey of 3-[1-(4-chlorobenzoyl)piperidin-4-yl]-6-cyclopropyl-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is XMRCWTLQTOVMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O3/c1-25-21(29)17-12-18(13-2-3-13)26-22-19(17)20(27-31-22)14-8-10-28(11-9-14)23(30)15-4-6-16(24)7-5-15/h4-7,12-14H,2-3,8-11H2,1H3,(H,25,29).
What are the key properties of 3-[1-(4-chlorobenzoyl)piperidin-4-yl]-6-cyclopropyl-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
3-[1-(4-chlorobenzoyl)piperidin-4-yl]-6-cyclopropyl-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 438.92 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-chlorobenzoyl)piperidin-4-yl]-6-cyclopropyl-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 134801159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).