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

C25H28N8O4 — CID 168972262

IUPAC5-(3-hydroxypiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide
SMILESCn1cc(-c2cccc(NC(=O)c3cc4oc(N5CCOCC5)nc4nc3N3CCCC(O)C3)n2)cn1
InChIInChI=1S/C25H28N8O4/c1-31-14-16(13-26-31)19-5-2-6-21(27-19)28-24(35)18-12-20-22(29-23(18)33-7-3-4-17(34)15-33)30-25(37-20)32-8-10-36-11-9-32/h2,5-6,12-14,17,34H,3-4,7-11,15H2,1H3,(H,27,28,35)
InChIKeyVZMJCXMFFXUQSN-UHFFFAOYSA-N
MW504.55 g/mol
LogP2.07
Rot. Bonds5

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

5-(3-hydroxypiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide (PubChem CID 168972262) has the molecular formula C25H28N8O4 and a molecular weight of 504.55 g/mol. Its IUPAC name is 5-(3-hydroxypiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name5-(3-hydroxypiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide
PubChem CID168972262
Molecular FormulaC25H28N8O4
Molecular Weight504.55 g/mol
Exact Mass504.22
IUPAC Name5-(3-hydroxypiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide
SMILESCn1cc(-c2cccc(NC(=O)c3cc4oc(N5CCOCC5)nc4nc3N3CCCC(O)C3)n2)cn1
InChIInChI=1S/C25H28N8O4/c1-31-14-16(13-26-31)19-5-2-6-21(27-19)28-24(35)18-12-20-22(29-23(18)33-7-3-4-17(34)15-33)30-25(37-20)32-8-10-36-11-9-32/h2,5-6,12-14,17,34H,3-4,7-11,15H2,1H3,(H,27,28,35)
InChIKeyVZMJCXMFFXUQSN-UHFFFAOYSA-N
XLogP2.07
TPSA134.67 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.55
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 5-(3-hydroxypiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxypiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 5-(3-hydroxypiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide (CID 168972262) is 5-(3-hydroxypiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 5-(3-hydroxypiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 5-(3-hydroxypiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide is Cn1cc(-c2cccc(NC(=O)c3cc4oc(N5CCOCC5)nc4nc3N3CCCC(O)C3)n2)cn1.
What is the InChIKey of 5-(3-hydroxypiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide?
The InChIKey is VZMJCXMFFXUQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N8O4/c1-31-14-16(13-26-31)19-5-2-6-21(27-19)28-24(35)18-12-20-22(29-23(18)33-7-3-4-17(34)15-33)30-25(37-20)32-8-10-36-11-9-32/h2,5-6,12-14,17,34H,3-4,7-11,15H2,1H3,(H,27,28,35).
What are the key properties of 5-(3-hydroxypiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide?
5-(3-hydroxypiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide has a molecular weight of 504.55 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxypiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 168972262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).