N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridine-3-carboxamide

C21H24N6O4 — CID 167981360

IUPACN-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridine-3-carboxamide
SMILESO=C(Nc1ccc2oc(=O)n(CC(=O)N3CCCCC3)c2c1)c1[nH]nc2c1CCCN2
InChIInChI=1S/C21H24N6O4/c28-17(26-9-2-1-3-10-26)12-27-15-11-13(6-7-16(15)31-21(27)30)23-20(29)18-14-5-4-8-22-19(14)25-24-18/h6-7,11H,1-5,8-10,12H2,(H,23,29)(H2,22,24,25)
InChIKeySHPDVNBIJZFKSA-UHFFFAOYSA-N
MW424.46 g/mol
LogP1.94
Rot. Bonds4

About N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridine-3-carboxamide

N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridine-3-carboxamide (PubChem CID 167981360) has the molecular formula C21H24N6O4 and a molecular weight of 424.46 g/mol. Its IUPAC name is N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridine-3-carboxamide
PubChem CID167981360
Molecular FormulaC21H24N6O4
Molecular Weight424.46 g/mol
Exact Mass424.19
IUPAC NameN-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridine-3-carboxamide
SMILESO=C(Nc1ccc2oc(=O)n(CC(=O)N3CCCCC3)c2c1)c1[nH]nc2c1CCCN2
InChIInChI=1S/C21H24N6O4/c28-17(26-9-2-1-3-10-26)12-27-15-11-13(6-7-16(15)31-21(27)30)23-20(29)18-14-5-4-8-22-19(14)25-24-18/h6-7,11H,1-5,8-10,12H2,(H,23,29)(H2,22,24,25)
InChIKeySHPDVNBIJZFKSA-UHFFFAOYSA-N
XLogP1.94
TPSA125.26 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridine-3-carboxamide with MolForge

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Related Compounds

4-bromo-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 167786688
5-bromo-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-4-phenyl-1H-pyrazole-3-carboxamide
CID 167936087
4-oxo-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-5,6,7,8-tetrahydropyrazolo[1,5-a]azepine-2-carboxamide
CID 167944355
5-(furan-2-yl)-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-1H-pyrazole-3-carboxamide
CID 167936040
N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]prop-2-enamide
CID 166406072
6-methyl-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]quinazoline-4-carboxamide
CID 167826598
3-(3-methoxyphenyl)-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-1H-pyrazole-5-carboxamide
CID 167918124
1-amino-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]cyclobutane-1-carboxamide
CID 167968453
4-amino-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide
CID 167925866
N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 167789866
6-methoxy-4-methyl-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-1H-indole-2-carboxamide
CID 167772413
3,5-dimethoxy-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-1,2-thiazole-4-carboxamide
CID 167919342

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridine-3-carboxamide?
The IUPAC name of N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridine-3-carboxamide (CID 167981360) is N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridine-3-carboxamide?
The canonical SMILES for N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridine-3-carboxamide is O=C(Nc1ccc2oc(=O)n(CC(=O)N3CCCCC3)c2c1)c1[nH]nc2c1CCCN2.
What is the InChIKey of N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridine-3-carboxamide?
The InChIKey is SHPDVNBIJZFKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O4/c28-17(26-9-2-1-3-10-26)12-27-15-11-13(6-7-16(15)31-21(27)30)23-20(29)18-14-5-4-8-22-19(14)25-24-18/h6-7,11H,1-5,8-10,12H2,(H,23,29)(H2,22,24,25).
What are the key properties of N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridine-3-carboxamide?
N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridine-3-carboxamide has a molecular weight of 424.46 g/mol, XLogP of 1.94, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridine-3-carboxamide is sourced from PubChem (CID 167981360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).