N-[2-[(8S)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]-2-methylpyrazole-3-carboxamide

C18H24N6O3 — CID 124811327

About N-[2-[(8S)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]-2-methylpyrazole-3-carboxamide

N-[2-[(8S)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]-2-methylpyrazole-3-carboxamide (PubChem CID 124811327) has the molecular formula C18H24N6O3 and a molecular weight of 372.43 g/mol. Its IUPAC name is N-[2-[(8S)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-[(8S)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]-2-methylpyrazole-3-carboxamide
• PubChem CID: 124811327
• Molecular Formula: C18H24N6O3
• Molecular Weight: 372.43 g/mol
• Exact Mass: 372.19
• IUPAC Name: N-[2-[(8S)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]-2-methylpyrazole-3-carboxamide
• SMILES: COc1cc(N2CC3(C2)OCC[C@@H]3CCNC(=O)c2ccnn2C)ncn1
• InChI: InChI=1S/C18H24N6O3/c1-23-14(4-7-22-23)17(25)19-6-3-13-5-8-27-18(13)10-24(11-18)15-9-16(26-2)21-12-20-15/h4,7,9,12-13H,3,5-6,8,10-11H2,1-2H3,(H,19,25)/t13-/m0/s1
• InChIKey: QSFWOCNGWIWKRJ-ZDUSSCGKSA-N
• XLogP: 0.63
• TPSA: 94.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.43
LogP ≤ 5	0.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-[(8S)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]-2-methylpyrazole-3-carboxamide?

The IUPAC name of N-[2-[(8S)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]-2-methylpyrazole-3-carboxamide (CID 124811327) is N-[2-[(8S)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]-2-methylpyrazole-3-carboxamide.

What is the SMILES notation for N-[2-[(8S)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]-2-methylpyrazole-3-carboxamide?

The canonical SMILES for N-[2-[(8S)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]-2-methylpyrazole-3-carboxamide is COc1cc(N2CC3(C2)OCC[C@@H]3CCNC(=O)c2ccnn2C)ncn1.

What is the InChIKey of N-[2-[(8S)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]-2-methylpyrazole-3-carboxamide?

The InChIKey is QSFWOCNGWIWKRJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H24N6O3/c1-23-14(4-7-22-23)17(25)19-6-3-13-5-8-27-18(13)10-24(11-18)15-9-16(26-2)21-12-20-15/h4,7,9,12-13H,3,5-6,8,10-11H2,1-2H3,(H,19,25)/t13-/m0/s1.

What are the key properties of N-[2-[(8S)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]-2-methylpyrazole-3-carboxamide?

N-[2-[(8S)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 0.63, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(8S)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 124811327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).