tert-butyl N-[4-[2-[4-[1-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]-3-methoxypyrazolo[1,5-a]pyridin-6-yl]-3,4-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]cyclohexyl]carbamate

C34H44FN7O5 — CID 178131221

About tert-butyl N-[4-[2-[4-[1-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]-3-methoxypyrazolo[1,5-a]pyridin-6-yl]-3,4-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]cyclohexyl]carbamate

tert-butyl N-[4-[2-[4-[1-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]-3-methoxypyrazolo[1,5-a]pyridin-6-yl]-3,4-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]cyclohexyl]carbamate (PubChem CID 178131221) has the molecular formula C34H44FN7O5 and a molecular weight of 649.77 g/mol. Its IUPAC name is tert-butyl N-[4-[2-[4-[1-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]-3-methoxypyrazolo[1,5-a]pyridin-6-yl]-3,4-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]cyclohexyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[4-[2-[4-[1-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]-3-methoxypyrazolo[1,5-a]pyridin-6-yl]-3,4-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]cyclohexyl]carbamate
• PubChem CID: 178131221
• Molecular Formula: C34H44FN7O5
• Molecular Weight: 649.77 g/mol
• Exact Mass: 649.34
• IUPAC Name: tert-butyl N-[4-[2-[4-[1-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]-3-methoxypyrazolo[1,5-a]pyridin-6-yl]-3,4-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]cyclohexyl]carbamate
• SMILES: COc1cnn2cc(-c3nn4c(c3C)C(C)N(C3CCC(NC(=O)OC(C)(C)C)CC3)CC4)cc(OC(CO)c3ccc(F)cn3)c12
• InChI: InChI=1S/C34H44FN7O5/c1-20-30(22-15-27(32-28(45-6)17-37-42(32)18-22)46-29(19-43)26-12-7-23(35)16-36-26)39-41-14-13-40(21(2)31(20)41)25-10-8-24(9-11-25)38-33(44)47-34(3,4)5/h7,12,15-18,21,24-25,29,43H,8-11,13-14,19H2,1-6H3,(H,38,44)
• InChIKey: ZSSGAMCKKRBVQH-UHFFFAOYSA-N
• XLogP: 5.37
• TPSA: 128.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	649.77
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[2-[4-[1-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]-3-methoxypyrazolo[1,5-a]pyridin-6-yl]-3,4-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]cyclohexyl]carbamate?

The IUPAC name of tert-butyl N-[4-[2-[4-[1-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]-3-methoxypyrazolo[1,5-a]pyridin-6-yl]-3,4-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]cyclohexyl]carbamate (CID 178131221) is tert-butyl N-[4-[2-[4-[1-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]-3-methoxypyrazolo[1,5-a]pyridin-6-yl]-3,4-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]cyclohexyl]carbamate.

What is the SMILES notation for tert-butyl N-[4-[2-[4-[1-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]-3-methoxypyrazolo[1,5-a]pyridin-6-yl]-3,4-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]cyclohexyl]carbamate?

The canonical SMILES for tert-butyl N-[4-[2-[4-[1-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]-3-methoxypyrazolo[1,5-a]pyridin-6-yl]-3,4-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]cyclohexyl]carbamate is COc1cnn2cc(-c3nn4c(c3C)C(C)N(C3CCC(NC(=O)OC(C)(C)C)CC3)CC4)cc(OC(CO)c3ccc(F)cn3)c12.

What is the InChIKey of tert-butyl N-[4-[2-[4-[1-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]-3-methoxypyrazolo[1,5-a]pyridin-6-yl]-3,4-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]cyclohexyl]carbamate?

The InChIKey is ZSSGAMCKKRBVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H44FN7O5/c1-20-30(22-15-27(32-28(45-6)17-37-42(32)18-22)46-29(19-43)26-12-7-23(35)16-36-26)39-41-14-13-40(21(2)31(20)41)25-10-8-24(9-11-25)38-33(44)47-34(3,4)5/h7,12,15-18,21,24-25,29,43H,8-11,13-14,19H2,1-6H3,(H,38,44).

What are the key properties of tert-butyl N-[4-[2-[4-[1-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]-3-methoxypyrazolo[1,5-a]pyridin-6-yl]-3,4-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]cyclohexyl]carbamate?

tert-butyl N-[4-[2-[4-[1-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]-3-methoxypyrazolo[1,5-a]pyridin-6-yl]-3,4-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]cyclohexyl]carbamate has a molecular weight of 649.77 g/mol, XLogP of 5.37, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[4-[2-[4-[1-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]-3-methoxypyrazolo[1,5-a]pyridin-6-yl]-3,4-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]cyclohexyl]carbamate is sourced from PubChem (CID 178131221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).