tert-butyl 3-(6,6-difluoro-3-azabicyclo[3.1.0]hexane-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;6,6-difluoro-3-azabicyclo[3.1.0]hexane;5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid;hydrochloride

C34H47ClF4N8O7 — CID 167678210

About tert-butyl 3-(6,6-difluoro-3-azabicyclo[3.1.0]hexane-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;6,6-difluoro-3-azabicyclo[3.1.0]hexane;5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid;hydrochloride

tert-butyl 3-(6,6-difluoro-3-azabicyclo[3.1.0]hexane-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;6,6-difluoro-3-azabicyclo[3.1.0]hexane;5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid;hydrochloride (PubChem CID 167678210) has the molecular formula C34H47ClF4N8O7 and a molecular weight of 791.24 g/mol. Its IUPAC name is tert-butyl 3-(6,6-difluoro-3-azabicyclo[3.1.0]hexane-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;6,6-difluoro-3-azabicyclo[3.1.0]hexane;5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid;hydrochloride.

Molecular Properties

• Compound Name: tert-butyl 3-(6,6-difluoro-3-azabicyclo[3.1.0]hexane-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;6,6-difluoro-3-azabicyclo[3.1.0]hexane;5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid;hydrochloride
• PubChem CID: 167678210
• Molecular Formula: C34H47ClF4N8O7
• Molecular Weight: 791.24 g/mol
• Exact Mass: 790.32
• IUPAC Name: tert-butyl 3-(6,6-difluoro-3-azabicyclo[3.1.0]hexane-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;6,6-difluoro-3-azabicyclo[3.1.0]hexane;5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid;hydrochloride
• SMILES: CC(C)(C)OC(=O)N1CCn2ncc(C(=O)N3CC4C(C3)C4(F)F)c2C1.CC(C)(C)OC(=O)N1CCn2ncc(C(=O)O)c2C1.Cl.FC1(F)C2CNCC21
• InChI: InChI=1S/C17H22F2N4O3.C12H17N3O4.C5H7F2N.ClH/c1-16(2,3)26-15(25)21-4-5-23-13(9-21)10(6-20-23)14(24)22-7-11-12(8-22)17(11,18)19;1-12(2,3)19-11(18)14-4-5-15-9(7-14)8(6-13-15)10(16)17;6-5(7)3-1-8-2-4(3)5;/h6,11-12H,4-5,7-9H2,1-3H3;6H,4-5,7H2,1-3H3,(H,16,17);3-4,8H,1-2H2;1H
• InChIKey: WUSNXMQEBZEXFU-UHFFFAOYSA-N
• XLogP: 4.20
• TPSA: 164.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 2
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	791.24
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(6,6-difluoro-3-azabicyclo[3.1.0]hexane-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;6,6-difluoro-3-azabicyclo[3.1.0]hexane;5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid;hydrochloride?

The IUPAC name of tert-butyl 3-(6,6-difluoro-3-azabicyclo[3.1.0]hexane-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;6,6-difluoro-3-azabicyclo[3.1.0]hexane;5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid;hydrochloride (CID 167678210) is tert-butyl 3-(6,6-difluoro-3-azabicyclo[3.1.0]hexane-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;6,6-difluoro-3-azabicyclo[3.1.0]hexane;5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid;hydrochloride.

What is the SMILES notation for tert-butyl 3-(6,6-difluoro-3-azabicyclo[3.1.0]hexane-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;6,6-difluoro-3-azabicyclo[3.1.0]hexane;5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid;hydrochloride?

The canonical SMILES for tert-butyl 3-(6,6-difluoro-3-azabicyclo[3.1.0]hexane-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;6,6-difluoro-3-azabicyclo[3.1.0]hexane;5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid;hydrochloride is CC(C)(C)OC(=O)N1CCn2ncc(C(=O)N3CC4C(C3)C4(F)F)c2C1.CC(C)(C)OC(=O)N1CCn2ncc(C(=O)O)c2C1.Cl.FC1(F)C2CNCC21.

What is the InChIKey of tert-butyl 3-(6,6-difluoro-3-azabicyclo[3.1.0]hexane-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;6,6-difluoro-3-azabicyclo[3.1.0]hexane;5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid;hydrochloride?

The InChIKey is WUSNXMQEBZEXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N4O3.C12H17N3O4.C5H7F2N.ClH/c1-16(2,3)26-15(25)21-4-5-23-13(9-21)10(6-20-23)14(24)22-7-11-12(8-22)17(11,18)19;1-12(2,3)19-11(18)14-4-5-15-9(7-14)8(6-13-15)10(16)17;6-5(7)3-1-8-2-4(3)5;/h6,11-12H,4-5,7-9H2,1-3H3;6H,4-5,7H2,1-3H3,(H,16,17);3-4,8H,1-2H2;1H.

What are the key properties of tert-butyl 3-(6,6-difluoro-3-azabicyclo[3.1.0]hexane-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;6,6-difluoro-3-azabicyclo[3.1.0]hexane;5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid;hydrochloride?

tert-butyl 3-(6,6-difluoro-3-azabicyclo[3.1.0]hexane-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;6,6-difluoro-3-azabicyclo[3.1.0]hexane;5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid;hydrochloride has a molecular weight of 791.24 g/mol, XLogP of 4.20, 2 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-(6,6-difluoro-3-azabicyclo[3.1.0]hexane-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;6,6-difluoro-3-azabicyclo[3.1.0]hexane;5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 167678210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).