tert-butyl (3R,4R)-3-hydroxy-4-[[[7-[imidazo[1,2-a]pyridin-2-ylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidine-1-carboxylate

C33H46N8O5 — CID 156790949

About tert-butyl (3R,4R)-3-hydroxy-4-[[[7-[imidazo[1,2-a]pyridin-2-ylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidine-1-carboxylate

tert-butyl (3R,4R)-3-hydroxy-4-[[[7-[imidazo[1,2-a]pyridin-2-ylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidine-1-carboxylate (PubChem CID 156790949) has the molecular formula C33H46N8O5 and a molecular weight of 634.78 g/mol. Its IUPAC name is tert-butyl (3R,4R)-3-hydroxy-4-[[[7-[imidazo[1,2-a]pyridin-2-ylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl (3R,4R)-3-hydroxy-4-[[[7-[imidazo[1,2-a]pyridin-2-ylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidine-1-carboxylate
• PubChem CID: 156790949
• Molecular Formula: C33H46N8O5
• Molecular Weight: 634.78 g/mol
• Exact Mass: 634.36
• IUPAC Name: tert-butyl (3R,4R)-3-hydroxy-4-[[[7-[imidazo[1,2-a]pyridin-2-ylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidine-1-carboxylate
• SMILES: CC(C)c1cnn2c(N(Cc3cn4ccccc4n3)C(=O)OC(C)(C)C)cc(NC[C@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3O)nc12
• InChI: InChI=1S/C33H46N8O5/c1-21(2)24-17-35-41-28(40(31(44)46-33(6,7)8)19-23-18-38-13-10-9-11-27(38)36-23)15-26(37-29(24)41)34-16-22-12-14-39(20-25(22)42)30(43)45-32(3,4)5/h9-11,13,15,17-18,21-22,25,42H,12,14,16,19-20H2,1-8H3,(H,34,37)/t22-,25+/m1/s1
• InChIKey: BNOGAZOUTCJYSA-RDGATRHJSA-N
• XLogP: 5.47
• TPSA: 138.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	634.78
LogP ≤ 5	5.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R,4R)-3-hydroxy-4-[[[7-[imidazo[1,2-a]pyridin-2-ylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidine-1-carboxylate?

The IUPAC name of tert-butyl (3R,4R)-3-hydroxy-4-[[[7-[imidazo[1,2-a]pyridin-2-ylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidine-1-carboxylate (CID 156790949) is tert-butyl (3R,4R)-3-hydroxy-4-[[[7-[imidazo[1,2-a]pyridin-2-ylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidine-1-carboxylate.

What is the SMILES notation for tert-butyl (3R,4R)-3-hydroxy-4-[[[7-[imidazo[1,2-a]pyridin-2-ylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidine-1-carboxylate?

The canonical SMILES for tert-butyl (3R,4R)-3-hydroxy-4-[[[7-[imidazo[1,2-a]pyridin-2-ylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidine-1-carboxylate is CC(C)c1cnn2c(N(Cc3cn4ccccc4n3)C(=O)OC(C)(C)C)cc(NC[C@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3O)nc12.

What is the InChIKey of tert-butyl (3R,4R)-3-hydroxy-4-[[[7-[imidazo[1,2-a]pyridin-2-ylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidine-1-carboxylate?

The InChIKey is BNOGAZOUTCJYSA-RDGATRHJSA-N. The full InChI is InChI=1S/C33H46N8O5/c1-21(2)24-17-35-41-28(40(31(44)46-33(6,7)8)19-23-18-38-13-10-9-11-27(38)36-23)15-26(37-29(24)41)34-16-22-12-14-39(20-25(22)42)30(43)45-32(3,4)5/h9-11,13,15,17-18,21-22,25,42H,12,14,16,19-20H2,1-8H3,(H,34,37)/t22-,25+/m1/s1.

What are the key properties of tert-butyl (3R,4R)-3-hydroxy-4-[[[7-[imidazo[1,2-a]pyridin-2-ylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidine-1-carboxylate?

tert-butyl (3R,4R)-3-hydroxy-4-[[[7-[imidazo[1,2-a]pyridin-2-ylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidine-1-carboxylate has a molecular weight of 634.78 g/mol, XLogP of 5.47, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (3R,4R)-3-hydroxy-4-[[[7-[imidazo[1,2-a]pyridin-2-ylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 156790949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).