1-(5-bromo-2-pyridinyl)cyclopropan-1-amine;tert-butyl N-[1-(5-bromo-2-pyridinyl)cyclopropyl]carbamate;tert-butyl N-[1-(5-bromo-2-pyridinyl)cyclopropyl]-N-methylcarbamate;tert-butyl 3-[[1-(5-methoxycarbonyl-2-pyridinyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;methyl 6-[1-(methylamino)cyclopropyl]pyridine-3-carboxylate;methyl 6-[1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropyl]pyridine-3-carboxylate;6-[1-[methyl-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbonyl]amino]cyclopropyl]pyridine-3-carboxylic acid

C107H137Br3N20O20 — CID 167645099

About 1-(5-bromo-2-pyridinyl)cyclopropan-1-amine;tert-butyl N-[1-(5-bromo-2-pyridinyl)cyclopropyl]carbamate;tert-butyl N-[1-(5-bromo-2-pyridinyl)cyclopropyl]-N-methylcarbamate;tert-butyl 3-[[1-(5-methoxycarbonyl-2-pyridinyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;methyl 6-[1-(methylamino)cyclopropyl]pyridine-3-carboxylate;methyl 6-[1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropyl]pyridine-3-carboxylate;6-[1-[methyl-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbonyl]amino]cyclopropyl]pyridine-3-carboxylic acid

1-(5-bromo-2-pyridinyl)cyclopropan-1-amine;tert-butyl N-[1-(5-bromo-2-pyridinyl)cyclopropyl]carbamate;tert-butyl N-[1-(5-bromo-2-pyridinyl)cyclopropyl]-N-methylcarbamate;tert-butyl 3-[[1-(5-methoxycarbonyl-2-pyridinyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;methyl 6-[1-(methylamino)cyclopropyl]pyridine-3-carboxylate;methyl 6-[1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropyl]pyridine-3-carboxylate;6-[1-[methyl-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbonyl]amino]cyclopropyl]pyridine-3-carboxylic acid (PubChem CID 167645099) has the molecular formula C107H137Br3N20O20 and a molecular weight of 2263.10 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)cyclopropan-1-amine;tert-butyl N-[1-(5-bromo-2-pyridinyl)cyclopropyl]carbamate;tert-butyl N-[1-(5-bromo-2-pyridinyl)cyclopropyl]-N-methylcarbamate;tert-butyl 3-[[1-(5-methoxycarbonyl-2-pyridinyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;methyl 6-[1-(methylamino)cyclopropyl]pyridine-3-carboxylate;methyl 6-[1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropyl]pyridine-3-carboxylate;6-[1-[methyl-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbonyl]amino]cyclopropyl]pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 1-(5-bromo-2-pyridinyl)cyclopropan-1-amine;tert-butyl N-[1-(5-bromo-2-pyridinyl)cyclopropyl]carbamate;tert-butyl N-[1-(5-bromo-2-pyridinyl)cyclopropyl]-N-methylcarbamate;tert-butyl 3-[[1-(5-methoxycarbonyl-2-pyridinyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;methyl 6-[1-(methylamino)cyclopropyl]pyridine-3-carboxylate;methyl 6-[1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropyl]pyridine-3-carboxylate;6-[1-[methyl-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbonyl]amino]cyclopropyl]pyridine-3-carboxylic acid
• PubChem CID: 167645099
• Molecular Formula: C107H137Br3N20O20
• Molecular Weight: 2263.10 g/mol
• Exact Mass: 2258.79
• IUPAC Name: 1-(5-bromo-2-pyridinyl)cyclopropan-1-amine;tert-butyl N-[1-(5-bromo-2-pyridinyl)cyclopropyl]carbamate;tert-butyl N-[1-(5-bromo-2-pyridinyl)cyclopropyl]-N-methylcarbamate;tert-butyl 3-[[1-(5-methoxycarbonyl-2-pyridinyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;methyl 6-[1-(methylamino)cyclopropyl]pyridine-3-carboxylate;methyl 6-[1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropyl]pyridine-3-carboxylate;6-[1-[methyl-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbonyl]amino]cyclopropyl]pyridine-3-carboxylic acid
• SMILES: CC(C)(C)OC(=O)NC1(c2ccc(Br)cn2)CC1.CN(C(=O)OC(C)(C)C)C1(c2ccc(Br)cn2)CC1.CN(C(=O)c1cnn2c1CN(C(=O)OC(C)(C)C)CC2)C1(c2ccc(C(=O)O)cn2)CC1.CNC1(c2ccc(C(=O)OC)cn2)CC1.COC(=O)c1ccc(C2(N(C)C(=O)OC(C)(C)C)CC2)nc1.COC(=O)c1ccc(C2(N(C)C(=O)c3cnn4c3CN(C(=O)OC(C)(C)C)CC4)CC2)nc1.NC1(c2ccc(Br)cn2)CC1
• InChI: InChI=1S/C23H29N5O5.C22H27N5O5.C16H22N2O4.C14H19BrN2O2.C13H17BrN2O2.C11H14N2O2.C8H9BrN2/c1-22(2,3)33-21(31)27-10-11-28-17(14-27)16(13-25-28)19(29)26(4)23(8-9-23)18-7-6-15(12-24-18)20(30)32-5;1-21(2,3)32-20(31)26-9-10-27-16(13-26)15(12-24-27)18(28)25(4)22(7-8-22)17-6-5-14(11-23-17)19(29)30;1-15(2,3)22-14(20)18(4)16(8-9-16)12-7-6-11(10-17-12)13(19)21-5;1-13(2,3)19-12(18)17(4)14(7-8-14)11-6-5-10(15)9-16-11;1-12(2,3)18-11(17)16-13(6-7-13)10-5-4-9(14)8-15-10;1-12-11(5-6-11)9-4-3-8(7-13-9)10(14)15-2;9-6-1-2-7(11-5-6)8(10)3-4-8/h6-7,12-13H,8-11,14H2,1-5H3;5-6,11-12H,7-10,13H2,1-4H3,(H,29,30);6-7,10H,8-9H2,1-5H3;5-6,9H,7-8H2,1-4H3;4-5,8H,6-7H2,1-3H3,(H,16,17);3-4,7,12H,5-6H2,1-2H3;1-2,5H,3-4,10H2
• InChIKey: PTDYHHOQIQVXPY-UHFFFAOYSA-N
• XLogP: 17.72
• TPSA: 477.23 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 32
• Rotatable Bonds: 19
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2263.10
LogP ≤ 5	17.72
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	32

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 N-[1-(5-bromo-2-pyridinyl)cyclopropyl]carbamate;tert-butyl N-[1-(5-bromo-2-pyridinyl)cyclopropyl]-N-methylcarbamate;tert-butyl 3-[[1-(5-methoxycarbonyl-2-pyridinyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;methyl 6-[1-(methylamino)cyclopropyl]pyridine-3-carboxylate;methyl 6-[1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropyl]pyridine-3-carboxylate;6-[1-[methyl-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbonyl]amino]cyclopropyl]pyridine-3-carboxylic acid?

The IUPAC name of 1-(5-bromo-2-pyridinyl)cyclopropan-1-amine;tert-butyl N-[1-(5-bromo-2-pyridinyl)cyclopropyl]carbamate;tert-butyl N-[1-(5-bromo-2-pyridinyl)cyclopropyl]-N-methylcarbamate;tert-butyl 3-[[1-(5-methoxycarbonyl-2-pyridinyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;methyl 6-[1-(methylamino)cyclopropyl]pyridine-3-carboxylate;methyl 6-[1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropyl]pyridine-3-carboxylate;6-[1-[methyl-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbonyl]amino]cyclopropyl]pyridine-3-carboxylic acid (CID 167645099) is 1-(5-bromo-2-pyridinyl)cyclopropan-1-amine;tert-butyl N-[1-(5-bromo-2-pyridinyl)cyclopropyl]carbamate;tert-butyl N-[1-(5-bromo-2-pyridinyl)cyclopropyl]-N-methylcarbamate;tert-butyl 3-[[1-(5-methoxycarbonyl-2-pyridinyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;methyl 6-[1-(methylamino)cyclopropyl]pyridine-3-carboxylate;methyl 6-[1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropyl]pyridine-3-carboxylate;6-[1-[methyl-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbonyl]amino]cyclopropyl]pyridine-3-carboxylic acid.

What is the SMILES notation for 1-(5-bromo-2-pyridinyl)cyclopropan-1-amine;tert-butyl N-[1-(5-bromo-2-pyridinyl)cyclopropyl]carbamate;tert-butyl N-[1-(5-bromo-2-pyridinyl)cyclopropyl]-N-methylcarbamate;tert-butyl 3-[[1-(5-methoxycarbonyl-2-pyridinyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;methyl 6-[1-(methylamino)cyclopropyl]pyridine-3-carboxylate;methyl 6-[1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropyl]pyridine-3-carboxylate;6-[1-[methyl-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbonyl]amino]cyclopropyl]pyridine-3-carboxylic acid?

The canonical SMILES for 1-(5-bromo-2-pyridinyl)cyclopropan-1-amine;tert-butyl N-[1-(5-bromo-2-pyridinyl)cyclopropyl]carbamate;tert-butyl N-[1-(5-bromo-2-pyridinyl)cyclopropyl]-N-methylcarbamate;tert-butyl 3-[[1-(5-methoxycarbonyl-2-pyridinyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;methyl 6-[1-(methylamino)cyclopropyl]pyridine-3-carboxylate;methyl 6-[1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropyl]pyridine-3-carboxylate;6-[1-[methyl-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbonyl]amino]cyclopropyl]pyridine-3-carboxylic acid is CC(C)(C)OC(=O)NC1(c2ccc(Br)cn2)CC1.CN(C(=O)OC(C)(C)C)C1(c2ccc(Br)cn2)CC1.CN(C(=O)c1cnn2c1CN(C(=O)OC(C)(C)C)CC2)C1(c2ccc(C(=O)O)cn2)CC1.CNC1(c2ccc(C(=O)OC)cn2)CC1.COC(=O)c1ccc(C2(N(C)C(=O)OC(C)(C)C)CC2)nc1.COC(=O)c1ccc(C2(N(C)C(=O)c3cnn4c3CN(C(=O)OC(C)(C)C)CC4)CC2)nc1.NC1(c2ccc(Br)cn2)CC1.

What is the InChIKey of 1-(5-bromo-2-pyridinyl)cyclopropan-1-amine;tert-butyl N-[1-(5-bromo-2-pyridinyl)cyclopropyl]carbamate;tert-butyl N-[1-(5-bromo-2-pyridinyl)cyclopropyl]-N-methylcarbamate;tert-butyl 3-[[1-(5-methoxycarbonyl-2-pyridinyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;methyl 6-[1-(methylamino)cyclopropyl]pyridine-3-carboxylate;methyl 6-[1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropyl]pyridine-3-carboxylate;6-[1-[methyl-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbonyl]amino]cyclopropyl]pyridine-3-carboxylic acid?

The InChIKey is PTDYHHOQIQVXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O5.C22H27N5O5.C16H22N2O4.C14H19BrN2O2.C13H17BrN2O2.C11H14N2O2.C8H9BrN2/c1-22(2,3)33-21(31)27-10-11-28-17(14-27)16(13-25-28)19(29)26(4)23(8-9-23)18-7-6-15(12-24-18)20(30)32-5;1-21(2,3)32-20(31)26-9-10-27-16(13-26)15(12-24-27)18(28)25(4)22(7-8-22)17-6-5-14(11-23-17)19(29)30;1-15(2,3)22-14(20)18(4)16(8-9-16)12-7-6-11(10-17-12)13(19)21-5;1-13(2,3)19-12(18)17(4)14(7-8-14)11-6-5-10(15)9-16-11;1-12(2,3)18-11(17)16-13(6-7-13)10-5-4-9(14)8-15-10;1-12-11(5-6-11)9-4-3-8(7-13-9)10(14)15-2;9-6-1-2-7(11-5-6)8(10)3-4-8/h6-7,12-13H,8-11,14H2,1-5H3;5-6,11-12H,7-10,13H2,1-4H3,(H,29,30);6-7,10H,8-9H2,1-5H3;5-6,9H,7-8H2,1-4H3;4-5,8H,6-7H2,1-3H3,(H,16,17);3-4,7,12H,5-6H2,1-2H3;1-2,5H,3-4,10H2.

What are the key properties of 1-(5-bromo-2-pyridinyl)cyclopropan-1-amine;tert-butyl N-[1-(5-bromo-2-pyridinyl)cyclopropyl]carbamate;tert-butyl N-[1-(5-bromo-2-pyridinyl)cyclopropyl]-N-methylcarbamate;tert-butyl 3-[[1-(5-methoxycarbonyl-2-pyridinyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;methyl 6-[1-(methylamino)cyclopropyl]pyridine-3-carboxylate;methyl 6-[1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropyl]pyridine-3-carboxylate;6-[1-[methyl-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbonyl]amino]cyclopropyl]pyridine-3-carboxylic acid?

1-(5-bromo-2-pyridinyl)cyclopropan-1-amine;tert-butyl N-[1-(5-bromo-2-pyridinyl)cyclopropyl]carbamate;tert-butyl N-[1-(5-bromo-2-pyridinyl)cyclopropyl]-N-methylcarbamate;tert-butyl 3-[[1-(5-methoxycarbonyl-2-pyridinyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;methyl 6-[1-(methylamino)cyclopropyl]pyridine-3-carboxylate;methyl 6-[1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropyl]pyridine-3-carboxylate;6-[1-[methyl-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbonyl]amino]cyclopropyl]pyridine-3-carboxylic acid has a molecular weight of 2263.10 g/mol, XLogP of 17.72, 19 rotatable bonds, 4 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-bromo-2-pyridinyl)cyclopropan-1-amine;tert-butyl N-[1-(5-bromo-2-pyridinyl)cyclopropyl]carbamate;tert-butyl N-[1-(5-bromo-2-pyridinyl)cyclopropyl]-N-methylcarbamate;tert-butyl 3-[[1-(5-methoxycarbonyl-2-pyridinyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;methyl 6-[1-(methylamino)cyclopropyl]pyridine-3-carboxylate;methyl 6-[1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropyl]pyridine-3-carboxylate;6-[1-[methyl-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbonyl]amino]cyclopropyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 167645099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).