5-(4-methoxypiperidin-1-yl)-N-(2-methoxy-3-pyridinyl)-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide

C23H28N6O5 — CID 168972222

IUPAC5-(4-methoxypiperidin-1-yl)-N-(2-methoxy-3-pyridinyl)-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide
SMILESCOc1ncccc1NC(=O)c1cc2oc(N3CCOCC3)nc2nc1N1CCC(OC)CC1
InChIInChI=1S/C23H28N6O5/c1-31-15-5-8-28(9-6-15)20-16(21(30)25-17-4-3-7-24-22(17)32-2)14-18-19(26-20)27-23(34-18)29-10-12-33-13-11-29/h3-4,7,14-15H,5-6,8-13H2,1-2H3,(H,25,30)
InChIKeyFSSIYPKVDKHWGG-UHFFFAOYSA-N
MW468.51 g/mol
LogP2.33
Rot. Bonds6

About 5-(4-methoxypiperidin-1-yl)-N-(2-methoxy-3-pyridinyl)-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide

5-(4-methoxypiperidin-1-yl)-N-(2-methoxy-3-pyridinyl)-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide (PubChem CID 168972222) has the molecular formula C23H28N6O5 and a molecular weight of 468.51 g/mol. Its IUPAC name is 5-(4-methoxypiperidin-1-yl)-N-(2-methoxy-3-pyridinyl)-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name5-(4-methoxypiperidin-1-yl)-N-(2-methoxy-3-pyridinyl)-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide
PubChem CID168972222
Molecular FormulaC23H28N6O5
Molecular Weight468.51 g/mol
Exact Mass468.21
IUPAC Name5-(4-methoxypiperidin-1-yl)-N-(2-methoxy-3-pyridinyl)-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide
SMILESCOc1ncccc1NC(=O)c1cc2oc(N3CCOCC3)nc2nc1N1CCC(OC)CC1
InChIInChI=1S/C23H28N6O5/c1-31-15-5-8-28(9-6-15)20-16(21(30)25-17-4-3-7-24-22(17)32-2)14-18-19(26-20)27-23(34-18)29-10-12-33-13-11-29/h3-4,7,14-15H,5-6,8-13H2,1-2H3,(H,25,30)
InChIKeyFSSIYPKVDKHWGG-UHFFFAOYSA-N
XLogP2.33
TPSA115.08 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.51
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxypiperidin-1-yl)-N-(2-methoxy-3-pyridinyl)-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 5-(4-methoxypiperidin-1-yl)-N-(2-methoxy-3-pyridinyl)-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide (CID 168972222) is 5-(4-methoxypiperidin-1-yl)-N-(2-methoxy-3-pyridinyl)-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 5-(4-methoxypiperidin-1-yl)-N-(2-methoxy-3-pyridinyl)-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 5-(4-methoxypiperidin-1-yl)-N-(2-methoxy-3-pyridinyl)-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide is COc1ncccc1NC(=O)c1cc2oc(N3CCOCC3)nc2nc1N1CCC(OC)CC1.
What is the InChIKey of 5-(4-methoxypiperidin-1-yl)-N-(2-methoxy-3-pyridinyl)-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide?
The InChIKey is FSSIYPKVDKHWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O5/c1-31-15-5-8-28(9-6-15)20-16(21(30)25-17-4-3-7-24-22(17)32-2)14-18-19(26-20)27-23(34-18)29-10-12-33-13-11-29/h3-4,7,14-15H,5-6,8-13H2,1-2H3,(H,25,30).
What are the key properties of 5-(4-methoxypiperidin-1-yl)-N-(2-methoxy-3-pyridinyl)-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide?
5-(4-methoxypiperidin-1-yl)-N-(2-methoxy-3-pyridinyl)-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide has a molecular weight of 468.51 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxypiperidin-1-yl)-N-(2-methoxy-3-pyridinyl)-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 168972222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).