(2S)-2-[[4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]oxymethyl]morpholine

C29H34N8O3 — CID 134823904

About (2S)-2-[[4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]oxymethyl]morpholine

(2S)-2-[[4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]oxymethyl]morpholine (PubChem CID 134823904) has the molecular formula C29H34N8O3 and a molecular weight of 542.64 g/mol. Its IUPAC name is (2S)-2-[[4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]oxymethyl]morpholine.

Molecular Properties

• Compound Name: (2S)-2-[[4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]oxymethyl]morpholine
• PubChem CID: 134823904
• Molecular Formula: C29H34N8O3
• Molecular Weight: 542.64 g/mol
• Exact Mass: 542.28
• IUPAC Name: (2S)-2-[[4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]oxymethyl]morpholine
• SMILES: COc1ccc(CN2C3CC2CN(c2cnc(-c4cc(OC[C@@H]5CNCCO5)cn5ncc(C)c45)cn2)C3)cn1
• InChI: InChI=1S/C29H34N8O3/c1-19-9-34-37-17-23(40-18-24-11-30-5-6-39-24)8-25(29(19)37)26-12-32-27(13-31-26)35-15-21-7-22(16-35)36(21)14-20-3-4-28(38-2)33-10-20/h3-4,8-10,12-13,17,21-22,24,30H,5-7,11,14-16,18H2,1-2H3/t21?,22?,24-/m0/s1
• InChIKey: MFOVQWYFURMVKU-IWAAJCSBSA-N
• XLogP: 2.33
• TPSA: 102.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	542.64
LogP ≤ 5	2.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]oxymethyl]morpholine?

The IUPAC name of (2S)-2-[[4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]oxymethyl]morpholine (CID 134823904) is (2S)-2-[[4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]oxymethyl]morpholine.

What is the SMILES notation for (2S)-2-[[4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]oxymethyl]morpholine?

The canonical SMILES for (2S)-2-[[4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]oxymethyl]morpholine is COc1ccc(CN2C3CC2CN(c2cnc(-c4cc(OC[C@@H]5CNCCO5)cn5ncc(C)c45)cn2)C3)cn1.

What is the InChIKey of (2S)-2-[[4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]oxymethyl]morpholine?

The InChIKey is MFOVQWYFURMVKU-IWAAJCSBSA-N. The full InChI is InChI=1S/C29H34N8O3/c1-19-9-34-37-17-23(40-18-24-11-30-5-6-39-24)8-25(29(19)37)26-12-32-27(13-31-26)35-15-21-7-22(16-35)36(21)14-20-3-4-28(38-2)33-10-20/h3-4,8-10,12-13,17,21-22,24,30H,5-7,11,14-16,18H2,1-2H3/t21?,22?,24-/m0/s1.

What are the key properties of (2S)-2-[[4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]oxymethyl]morpholine?

(2S)-2-[[4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]oxymethyl]morpholine has a molecular weight of 542.64 g/mol, XLogP of 2.33, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[[4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]oxymethyl]morpholine is sourced from PubChem (CID 134823904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).