tert-butyl 2-[2-[3-cyano-4-[6-[4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxyethoxy]-6-azaspiro[3.4]octane-6-carboxylate

C38H45N7O5 — CID 162353641

About tert-butyl 2-[2-[3-cyano-4-[6-[4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxyethoxy]-6-azaspiro[3.4]octane-6-carboxylate

tert-butyl 2-[2-[3-cyano-4-[6-[4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxyethoxy]-6-azaspiro[3.4]octane-6-carboxylate (PubChem CID 162353641) has the molecular formula C38H45N7O5 and a molecular weight of 679.82 g/mol. Its IUPAC name is tert-butyl 2-[2-[3-cyano-4-[6-[4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxyethoxy]-6-azaspiro[3.4]octane-6-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 2-[2-[3-cyano-4-[6-[4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxyethoxy]-6-azaspiro[3.4]octane-6-carboxylate
• PubChem CID: 162353641
• Molecular Formula: C38H45N7O5
• Molecular Weight: 679.82 g/mol
• Exact Mass: 679.35
• IUPAC Name: tert-butyl 2-[2-[3-cyano-4-[6-[4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxyethoxy]-6-azaspiro[3.4]octane-6-carboxylate
• SMILES: CC(C)(C)OC(=O)N1CCC2(CC(OCCOc3cc(-c4ccc(N5CCC(O)(Cc6ccccn6)CC5)nc4)c4c(C#N)cnn4c3)C2)C1
• InChI: InChI=1S/C38H45N7O5/c1-36(2,3)50-35(46)44-13-9-37(26-44)20-31(21-37)49-17-16-48-30-18-32(34-28(22-39)24-42-45(34)25-30)27-7-8-33(41-23-27)43-14-10-38(47,11-15-43)19-29-6-4-5-12-40-29/h4-8,12,18,23-25,31,47H,9-11,13-17,19-21,26H2,1-3H3
• InChIKey: UZKSKUBDDIPTOV-UHFFFAOYSA-N
• XLogP: 5.42
• TPSA: 138.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	679.82
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-[3-cyano-4-[6-[4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxyethoxy]-6-azaspiro[3.4]octane-6-carboxylate?

The IUPAC name of tert-butyl 2-[2-[3-cyano-4-[6-[4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxyethoxy]-6-azaspiro[3.4]octane-6-carboxylate (CID 162353641) is tert-butyl 2-[2-[3-cyano-4-[6-[4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxyethoxy]-6-azaspiro[3.4]octane-6-carboxylate.

What is the SMILES notation for tert-butyl 2-[2-[3-cyano-4-[6-[4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxyethoxy]-6-azaspiro[3.4]octane-6-carboxylate?

The canonical SMILES for tert-butyl 2-[2-[3-cyano-4-[6-[4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxyethoxy]-6-azaspiro[3.4]octane-6-carboxylate is CC(C)(C)OC(=O)N1CCC2(CC(OCCOc3cc(-c4ccc(N5CCC(O)(Cc6ccccn6)CC5)nc4)c4c(C#N)cnn4c3)C2)C1.

What is the InChIKey of tert-butyl 2-[2-[3-cyano-4-[6-[4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxyethoxy]-6-azaspiro[3.4]octane-6-carboxylate?

The InChIKey is UZKSKUBDDIPTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H45N7O5/c1-36(2,3)50-35(46)44-13-9-37(26-44)20-31(21-37)49-17-16-48-30-18-32(34-28(22-39)24-42-45(34)25-30)27-7-8-33(41-23-27)43-14-10-38(47,11-15-43)19-29-6-4-5-12-40-29/h4-8,12,18,23-25,31,47H,9-11,13-17,19-21,26H2,1-3H3.

What are the key properties of tert-butyl 2-[2-[3-cyano-4-[6-[4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxyethoxy]-6-azaspiro[3.4]octane-6-carboxylate?

tert-butyl 2-[2-[3-cyano-4-[6-[4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxyethoxy]-6-azaspiro[3.4]octane-6-carboxylate has a molecular weight of 679.82 g/mol, XLogP of 5.42, 9 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-[2-[3-cyano-4-[6-[4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxyethoxy]-6-azaspiro[3.4]octane-6-carboxylate is sourced from PubChem (CID 162353641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).