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

C25H26F2N8O3 — CID 168972122

IUPAC5-(4,4-difluoropiperidin-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)nc4nc3N3CCC(F)(F)CC3)n2)cn1
InChIInChI=1S/C25H26F2N8O3/c1-33-15-16(14-28-33)18-3-2-4-20(29-18)30-23(36)17-13-19-21(32-24(38-19)35-9-11-37-12-10-35)31-22(17)34-7-5-25(26,27)6-8-34/h2-4,13-15H,5-12H2,1H3,(H,29,30,36)
InChIKeyJQLQNLYXNOSEDD-UHFFFAOYSA-N
MW524.53 g/mol
LogP3.34
Rot. Bonds5

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

5-(4,4-difluoropiperidin-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 168972122) has the molecular formula C25H26F2N8O3 and a molecular weight of 524.53 g/mol. Its IUPAC name is 5-(4,4-difluoropiperidin-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-(4,4-difluoropiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide
PubChem CID168972122
Molecular FormulaC25H26F2N8O3
Molecular Weight524.53 g/mol
Exact Mass524.21
IUPAC Name5-(4,4-difluoropiperidin-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)nc4nc3N3CCC(F)(F)CC3)n2)cn1
InChIInChI=1S/C25H26F2N8O3/c1-33-15-16(14-28-33)18-3-2-4-20(29-18)30-23(36)17-13-19-21(32-24(38-19)35-9-11-37-12-10-35)31-22(17)34-7-5-25(26,27)6-8-34/h2-4,13-15H,5-12H2,1H3,(H,29,30,36)
InChIKeyJQLQNLYXNOSEDD-UHFFFAOYSA-N
XLogP3.34
TPSA114.44 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.53
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-(4,4-difluoropiperidin-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-(4,4-difluoropiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide (CID 168972122) is 5-(4,4-difluoropiperidin-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-(4,4-difluoropiperidin-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-(4,4-difluoropiperidin-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)nc4nc3N3CCC(F)(F)CC3)n2)cn1.
What is the InChIKey of 5-(4,4-difluoropiperidin-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 JQLQNLYXNOSEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F2N8O3/c1-33-15-16(14-28-33)18-3-2-4-20(29-18)30-23(36)17-13-19-21(32-24(38-19)35-9-11-37-12-10-35)31-22(17)34-7-5-25(26,27)6-8-34/h2-4,13-15H,5-12H2,1H3,(H,29,30,36).
What are the key properties of 5-(4,4-difluoropiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide?
5-(4,4-difluoropiperidin-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 524.53 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4-difluoropiperidin-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 168972122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).