5-(2,5-diazaspiro[3.4]octan-2-yl)-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide

C26H29N9O3 — CID 168972168

IUPAC5-(2,5-diazaspiro[3.4]octan-2-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)nc4nc3N3CC4(CCCN4)C3)n2)cn1
InChIInChI=1S/C26H29N9O3/c1-33-14-17(13-28-33)19-4-2-5-21(29-19)30-24(36)18-12-20-22(32-25(38-20)34-8-10-37-11-9-34)31-23(18)35-15-26(16-35)6-3-7-27-26/h2,4-5,12-14,27H,3,6-11,15-16H2,1H3,(H,29,30,36)
InChIKeyUOSSMOLQIOPOFL-UHFFFAOYSA-N
MW515.58 g/mol
LogP2.05
Rot. Bonds5

About 5-(2,5-diazaspiro[3.4]octan-2-yl)-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide

5-(2,5-diazaspiro[3.4]octan-2-yl)-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide (PubChem CID 168972168) has the molecular formula C26H29N9O3 and a molecular weight of 515.58 g/mol. Its IUPAC name is 5-(2,5-diazaspiro[3.4]octan-2-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-(2,5-diazaspiro[3.4]octan-2-yl)-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide
PubChem CID168972168
Molecular FormulaC26H29N9O3
Molecular Weight515.58 g/mol
Exact Mass515.24
IUPAC Name5-(2,5-diazaspiro[3.4]octan-2-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)nc4nc3N3CC4(CCCN4)C3)n2)cn1
InChIInChI=1S/C26H29N9O3/c1-33-14-17(13-28-33)19-4-2-5-21(29-19)30-24(36)18-12-20-22(32-25(38-20)34-8-10-37-11-9-34)31-23(18)35-15-26(16-35)6-3-7-27-26/h2,4-5,12-14,27H,3,6-11,15-16H2,1H3,(H,29,30,36)
InChIKeyUOSSMOLQIOPOFL-UHFFFAOYSA-N
XLogP2.05
TPSA126.47 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.58
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 5-(2,5-diazaspiro[3.4]octan-2-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-(2,5-diazaspiro[3.4]octan-2-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-(2,5-diazaspiro[3.4]octan-2-yl)-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide (CID 168972168) is 5-(2,5-diazaspiro[3.4]octan-2-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-(2,5-diazaspiro[3.4]octan-2-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-(2,5-diazaspiro[3.4]octan-2-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)nc4nc3N3CC4(CCCN4)C3)n2)cn1.
What is the InChIKey of 5-(2,5-diazaspiro[3.4]octan-2-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 UOSSMOLQIOPOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N9O3/c1-33-14-17(13-28-33)19-4-2-5-21(29-19)30-24(36)18-12-20-22(32-25(38-20)34-8-10-37-11-9-34)31-23(18)35-15-26(16-35)6-3-7-27-26/h2,4-5,12-14,27H,3,6-11,15-16H2,1H3,(H,29,30,36).
What are the key properties of 5-(2,5-diazaspiro[3.4]octan-2-yl)-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide?
5-(2,5-diazaspiro[3.4]octan-2-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 515.58 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-diazaspiro[3.4]octan-2-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 168972168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).