ethane;N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-morpholin-4-yl-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide

C27H32N8O4 — CID 168972167

IUPACethane;N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-morpholin-4-yl-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide
SMILESCC.Cn1cc(-c2cccc(NC(=O)c3cc4oc(N5CCOCC5)nc4nc3N3CC4(COC4)C3)n2)cn1
InChIInChI=1S/C25H26N8O4.C2H6/c1-31-11-16(10-26-31)18-3-2-4-20(27-18)28-23(34)17-9-19-21(30-24(37-19)32-5-7-35-8-6-32)29-22(17)33-12-25(13-33)14-36-15-25;1-2/h2-4,9-11H,5-8,12-15H2,1H3,(H,27,28,34);1-2H3
InChIKeyIRYXEGNFIHRQOZ-UHFFFAOYSA-N
MW532.61 g/mol
LogP2.97
Rot. Bonds5

About ethane;N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-morpholin-4-yl-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide

ethane;N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-morpholin-4-yl-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide (PubChem CID 168972167) has the molecular formula C27H32N8O4 and a molecular weight of 532.61 g/mol. Its IUPAC name is ethane;N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-morpholin-4-yl-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Nameethane;N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-morpholin-4-yl-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide
PubChem CID168972167
Molecular FormulaC27H32N8O4
Molecular Weight532.61 g/mol
Exact Mass532.25
IUPAC Nameethane;N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-morpholin-4-yl-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide
SMILESCC.Cn1cc(-c2cccc(NC(=O)c3cc4oc(N5CCOCC5)nc4nc3N3CC4(COC4)C3)n2)cn1
InChIInChI=1S/C25H26N8O4.C2H6/c1-31-11-16(10-26-31)18-3-2-4-20(27-18)28-23(34)17-9-19-21(30-24(37-19)32-5-7-35-8-6-32)29-22(17)33-12-25(13-33)14-36-15-25;1-2/h2-4,9-11H,5-8,12-15H2,1H3,(H,27,28,34);1-2H3
InChIKeyIRYXEGNFIHRQOZ-UHFFFAOYSA-N
XLogP2.97
TPSA123.67 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.61
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze ethane;N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-morpholin-4-yl-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-morpholin-4-yl-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of ethane;N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-morpholin-4-yl-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide (CID 168972167) is ethane;N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-morpholin-4-yl-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for ethane;N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-morpholin-4-yl-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for ethane;N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-morpholin-4-yl-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide is CC.Cn1cc(-c2cccc(NC(=O)c3cc4oc(N5CCOCC5)nc4nc3N3CC4(COC4)C3)n2)cn1.
What is the InChIKey of ethane;N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-morpholin-4-yl-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide?
The InChIKey is IRYXEGNFIHRQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N8O4.C2H6/c1-31-11-16(10-26-31)18-3-2-4-20(27-18)28-23(34)17-9-19-21(30-24(37-19)32-5-7-35-8-6-32)29-22(17)33-12-25(13-33)14-36-15-25;1-2/h2-4,9-11H,5-8,12-15H2,1H3,(H,27,28,34);1-2H3.
What are the key properties of ethane;N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-morpholin-4-yl-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide?
ethane;N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-morpholin-4-yl-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide has a molecular weight of 532.61 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-morpholin-4-yl-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 168972167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).