1-(5-bromo-2-pyridinyl)cyclopropan-1-amine;tert-butyl 3-[[1-(5-bromo-2-pyridinyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-(5-methyl-2-pyridinyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[(1-pyridin-2-ylcyclopropyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;bis(carbon dioxide)

C71H85Br2N17O13 — CID 165027223

About 1-(5-bromo-2-pyridinyl)cyclopropan-1-amine;tert-butyl 3-[[1-(5-bromo-2-pyridinyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-(5-methyl-2-pyridinyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[(1-pyridin-2-ylcyclopropyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;bis(carbon dioxide)

1-(5-bromo-2-pyridinyl)cyclopropan-1-amine;tert-butyl 3-[[1-(5-bromo-2-pyridinyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-(5-methyl-2-pyridinyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[(1-pyridin-2-ylcyclopropyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;bis(carbon dioxide) (PubChem CID 165027223) has the molecular formula C71H85Br2N17O13 and a molecular weight of 1544.37 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)cyclopropan-1-amine;tert-butyl 3-[[1-(5-bromo-2-pyridinyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-(5-methyl-2-pyridinyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[(1-pyridin-2-ylcyclopropyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;bis(carbon dioxide).

Molecular Properties

• Compound Name: 1-(5-bromo-2-pyridinyl)cyclopropan-1-amine;tert-butyl 3-[[1-(5-bromo-2-pyridinyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-(5-methyl-2-pyridinyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[(1-pyridin-2-ylcyclopropyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;bis(carbon dioxide)
• PubChem CID: 165027223
• Molecular Formula: C71H85Br2N17O13
• Molecular Weight: 1544.37 g/mol
• Exact Mass: 1541.49
• IUPAC Name: 1-(5-bromo-2-pyridinyl)cyclopropan-1-amine;tert-butyl 3-[[1-(5-bromo-2-pyridinyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-(5-methyl-2-pyridinyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[(1-pyridin-2-ylcyclopropyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;bis(carbon dioxide)
• SMILES: CC(C)(C)OC(=O)N1CCn2ncc(C(=O)NC3(c4ccc(Br)cn4)CC3)c2C1.CC(C)(C)OC(=O)N1CCn2ncc(C(=O)NC3(c4ccccn4)CC3)c2C1.Cc1ccc(C2(NC(=O)c3cnn4c3CN(C(=O)OC(C)(C)C)CC4)CC2)nc1.NC1(c2ccc(Br)cn2)CC1.O=C=O.O=C=O
• InChI: InChI=1S/C21H27N5O3.C20H24BrN5O3.C20H25N5O3.C8H9BrN2.2CO2/c1-14-5-6-17(22-11-14)21(7-8-21)24-18(27)15-12-23-26-10-9-25(13-16(15)26)19(28)29-20(2,3)4;1-19(2,3)29-18(28)25-8-9-26-15(12-25)14(11-23-26)17(27)24-20(6-7-20)16-5-4-13(21)10-22-16;1-19(2,3)28-18(27)24-10-11-25-15(13-24)14(12-22-25)17(26)23-20(7-8-20)16-6-4-5-9-21-16;9-6-1-2-7(11-5-6)8(10)3-4-8;2*2-1-3/h5-6,11-12H,7-10,13H2,1-4H3,(H,24,27);4-5,10-11H,6-9,12H2,1-3H3,(H,24,27);4-6,9,12H,7-8,10-11,13H2,1-3H3,(H,23,26);1-2,5H,3-4,10H2
• InChIKey: MBVLDBSLNSIMCH-UHFFFAOYSA-N
• XLogP: 9.04
• TPSA: 375.24 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 10
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1544.37
LogP ≤ 5	9.04
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)cyclopropan-1-amine;tert-butyl 3-[[1-(5-bromo-2-pyridinyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-(5-methyl-2-pyridinyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[(1-pyridin-2-ylcyclopropyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;bis(carbon dioxide)?

The IUPAC name of 1-(5-bromo-2-pyridinyl)cyclopropan-1-amine;tert-butyl 3-[[1-(5-bromo-2-pyridinyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-(5-methyl-2-pyridinyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[(1-pyridin-2-ylcyclopropyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;bis(carbon dioxide) (CID 165027223) is 1-(5-bromo-2-pyridinyl)cyclopropan-1-amine;tert-butyl 3-[[1-(5-bromo-2-pyridinyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-(5-methyl-2-pyridinyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[(1-pyridin-2-ylcyclopropyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;bis(carbon dioxide).

What is the SMILES notation for 1-(5-bromo-2-pyridinyl)cyclopropan-1-amine;tert-butyl 3-[[1-(5-bromo-2-pyridinyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-(5-methyl-2-pyridinyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[(1-pyridin-2-ylcyclopropyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;bis(carbon dioxide)?

The canonical SMILES for 1-(5-bromo-2-pyridinyl)cyclopropan-1-amine;tert-butyl 3-[[1-(5-bromo-2-pyridinyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-(5-methyl-2-pyridinyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[(1-pyridin-2-ylcyclopropyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;bis(carbon dioxide) is CC(C)(C)OC(=O)N1CCn2ncc(C(=O)NC3(c4ccc(Br)cn4)CC3)c2C1.CC(C)(C)OC(=O)N1CCn2ncc(C(=O)NC3(c4ccccn4)CC3)c2C1.Cc1ccc(C2(NC(=O)c3cnn4c3CN(C(=O)OC(C)(C)C)CC4)CC2)nc1.NC1(c2ccc(Br)cn2)CC1.O=C=O.O=C=O.

What is the InChIKey of 1-(5-bromo-2-pyridinyl)cyclopropan-1-amine;tert-butyl 3-[[1-(5-bromo-2-pyridinyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-(5-methyl-2-pyridinyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[(1-pyridin-2-ylcyclopropyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;bis(carbon dioxide)?

The InChIKey is MBVLDBSLNSIMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3.C20H24BrN5O3.C20H25N5O3.C8H9BrN2.2CO2/c1-14-5-6-17(22-11-14)21(7-8-21)24-18(27)15-12-23-26-10-9-25(13-16(15)26)19(28)29-20(2,3)4;1-19(2,3)29-18(28)25-8-9-26-15(12-25)14(11-23-26)17(27)24-20(6-7-20)16-5-4-13(21)10-22-16;1-19(2,3)28-18(27)24-10-11-25-15(13-24)14(12-22-25)17(26)23-20(7-8-20)16-6-4-5-9-21-16;9-6-1-2-7(11-5-6)8(10)3-4-8;2*2-1-3/h5-6,11-12H,7-10,13H2,1-4H3,(H,24,27);4-5,10-11H,6-9,12H2,1-3H3,(H,24,27);4-6,9,12H,7-8,10-11,13H2,1-3H3,(H,23,26);1-2,5H,3-4,10H2;;.

What are the key properties of 1-(5-bromo-2-pyridinyl)cyclopropan-1-amine;tert-butyl 3-[[1-(5-bromo-2-pyridinyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-(5-methyl-2-pyridinyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[(1-pyridin-2-ylcyclopropyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;bis(carbon dioxide)?

1-(5-bromo-2-pyridinyl)cyclopropan-1-amine;tert-butyl 3-[[1-(5-bromo-2-pyridinyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-(5-methyl-2-pyridinyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[(1-pyridin-2-ylcyclopropyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;bis(carbon dioxide) has a molecular weight of 1544.37 g/mol, XLogP of 9.04, 10 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-bromo-2-pyridinyl)cyclopropan-1-amine;tert-butyl 3-[[1-(5-bromo-2-pyridinyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-(5-methyl-2-pyridinyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[(1-pyridin-2-ylcyclopropyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;bis(carbon dioxide) is sourced from PubChem (CID 165027223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).