3-bromo-2-fluoropyridine;1-(3-bromo-2-pyridinyl)cyclopropane-1-carbonitrile;1-(3-bromo-2-pyridinyl)cyclopropane-1-carboxamide;1-(3-bromo-2-pyridinyl)-N-methylcyclopropan-1-amine;tert-butyl N-[1-(3-bromo-2-pyridinyl)cyclopropyl]carbamate;tert-butyl N-[1-(3-bromo-2-pyridinyl)cyclopropyl]-N-methylcarbamate;tert-butyl 3-[[1-(3-bromo-2-pyridinyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-(3-ethenyl-2-pyridinyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-(3-formyl-2-pyridinyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;2-[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

C147H175Br7FN31O20 — CID 167594843

IUPAC3-bromo-2-fluoropyridine;1-(3-bromo-2-pyridinyl)cyclopropane-1-carbonitrile;1-(3-bromo-2-pyridinyl)cyclopropane-1-carboxamide;1-(3-bromo-2-pyridinyl)-N-methylcyclopropan-1-amine;tert-butyl N-[1-(3-bromo-2-pyridinyl)cyclopropyl]carbamate;tert-butyl N-[1-(3-bromo-2-pyridinyl)cyclopropyl]-N-methylcarbamate;tert-butyl 3-[[1-(3-bromo-2-pyridinyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-(3-ethenyl-2-pyridinyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-(3-formyl-2-pyridinyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;2-[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
SMILESC=Cc1cccnc1C1(N(C)C(=O)c2cnn3c2CN(C(=O)OC(C)(C)C)CC3)CC1.CC(C)(C)OC(=O)NC1(c2ncccc2Br)CC1.CN(C(=O)OC(C)(C)C)C1(c2ncccc2Br)CC1.CN(C(=O)c1cnn2c1CN(C(=O)OC(C)(C)C)CC2)C1(c2ncccc2Br)CC1.CN(C(=O)c1cnn2c1CN(C(=O)OC(C)(C)C)CC2)C1(c2ncccc2C(=O)O)CC1.CN(C(=O)c1cnn2c1CN(C(=O)OC(C)(C)C)CC2)C1(c2ncccc2C=O)CC1.CNC1(c2ncccc2Br)CC1.Fc1ncccc1Br.N#CC1(c2ncccc2Br)CC1.NC(=O)C1(c2ncccc2Br)CC1
InChIInChI=1S/C23H29N5O3.C22H27N5O5.C22H27N5O4.C21H26BrN5O3.C14H19BrN2O2.C13H17BrN2O2.C9H9BrN2O.C9H11BrN2.C9H7BrN2.C5H3BrFN/c1-6-16-8-7-11-24-19(16)23(9-10-23)26(5)20(29)17-14-25-28-13-12-27(15-18(17)28)21(30)31-22(2,3)4;1-21(2,3)32-20(31)26-10-11-27-16(13-26)15(12-24-27)18(28)25(4)22(7-8-22)17-14(19(29)30)6-5-9-23-17;1-21(2,3)31-20(30)26-10-11-27-17(13-26)16(12-24-27)19(29)25(4)22(7-8-22)18-15(14-28)6-5-9-23-18;1-20(2,3)30-19(29)26-10-11-27-16(13-26)14(12-24-27)18(28)25(4)21(7-8-21)17-15(22)6-5-9-23-17;1-13(2,3)19-12(18)17(4)14(7-8-14)11-10(15)6-5-9-16-11;1-12(2,3)18-11(17)16-13(6-7-13)10-9(14)5-4-8-15-10;10-6-2-1-5-12-7(6)9(3-4-9)8(11)13;1-11-9(4-5-9)8-7(10)3-2-6-12-8;10-7-2-1-5-12-8(7)9(6-11)3-4-9;6-4-2-1-3-8-5(4)7/h6-8,11,14H,1,9-10,12-13,15H2,2-5H3;5-6,9,12H,7-8,10-11,13H2,1-4H3,(H,29,30);5-6,9,12,14H,7-8,10-11,13H2,1-4H3;5-6,9,12H,7-8,10-11,13H2,1-4H3;5-6,9H,7-8H2,1-4H3;4-5,8H,6-7H2,1-3H3,(H,16,17);1-2,5H,3-4H2,(H2,11,13);2-3,6,11H,4-5H2,1H3;1-2,5H,3-4H2;1-3H
InChIKeyIXNPXOWDXGUHAP-UHFFFAOYSA-N
MW3274.54 g/mol
LogP26.93
Rot. Bonds24

About 3-bromo-2-fluoropyridine;1-(3-bromo-2-pyridinyl)cyclopropane-1-carbonitrile;1-(3-bromo-2-pyridinyl)cyclopropane-1-carboxamide;1-(3-bromo-2-pyridinyl)-N-methylcyclopropan-1-amine;tert-butyl N-[1-(3-bromo-2-pyridinyl)cyclopropyl]carbamate;tert-butyl N-[1-(3-bromo-2-pyridinyl)cyclopropyl]-N-methylcarbamate;tert-butyl 3-[[1-(3-bromo-2-pyridinyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-(3-ethenyl-2-pyridinyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-(3-formyl-2-pyridinyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;2-[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

3-bromo-2-fluoropyridine;1-(3-bromo-2-pyridinyl)cyclopropane-1-carbonitrile;1-(3-bromo-2-pyridinyl)cyclopropane-1-carboxamide;1-(3-bromo-2-pyridinyl)-N-methylcyclopropan-1-amine;tert-butyl N-[1-(3-bromo-2-pyridinyl)cyclopropyl]carbamate;tert-butyl N-[1-(3-bromo-2-pyridinyl)cyclopropyl]-N-methylcarbamate;tert-butyl 3-[[1-(3-bromo-2-pyridinyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-(3-ethenyl-2-pyridinyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-(3-formyl-2-pyridinyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;2-[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 167594843) has the molecular formula C147H175Br7FN31O20 and a molecular weight of 3274.54 g/mol. Its IUPAC name is 3-bromo-2-fluoropyridine;1-(3-bromo-2-pyridinyl)cyclopropane-1-carbonitrile;1-(3-bromo-2-pyridinyl)cyclopropane-1-carboxamide;1-(3-bromo-2-pyridinyl)-N-methylcyclopropan-1-amine;tert-butyl N-[1-(3-bromo-2-pyridinyl)cyclopropyl]carbamate;tert-butyl N-[1-(3-bromo-2-pyridinyl)cyclopropyl]-N-methylcarbamate;tert-butyl 3-[[1-(3-bromo-2-pyridinyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-(3-ethenyl-2-pyridinyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-(3-formyl-2-pyridinyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;2-[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 Name3-bromo-2-fluoropyridine;1-(3-bromo-2-pyridinyl)cyclopropane-1-carbonitrile;1-(3-bromo-2-pyridinyl)cyclopropane-1-carboxamide;1-(3-bromo-2-pyridinyl)-N-methylcyclopropan-1-amine;tert-butyl N-[1-(3-bromo-2-pyridinyl)cyclopropyl]carbamate;tert-butyl N-[1-(3-bromo-2-pyridinyl)cyclopropyl]-N-methylcarbamate;tert-butyl 3-[[1-(3-bromo-2-pyridinyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-(3-ethenyl-2-pyridinyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-(3-formyl-2-pyridinyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;2-[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 CID167594843
Molecular FormulaC147H175Br7FN31O20
Molecular Weight3274.54 g/mol
Exact Mass3265.79
IUPAC Name3-bromo-2-fluoropyridine;1-(3-bromo-2-pyridinyl)cyclopropane-1-carbonitrile;1-(3-bromo-2-pyridinyl)cyclopropane-1-carboxamide;1-(3-bromo-2-pyridinyl)-N-methylcyclopropan-1-amine;tert-butyl N-[1-(3-bromo-2-pyridinyl)cyclopropyl]carbamate;tert-butyl N-[1-(3-bromo-2-pyridinyl)cyclopropyl]-N-methylcarbamate;tert-butyl 3-[[1-(3-bromo-2-pyridinyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-(3-ethenyl-2-pyridinyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-(3-formyl-2-pyridinyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;2-[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
SMILESC=Cc1cccnc1C1(N(C)C(=O)c2cnn3c2CN(C(=O)OC(C)(C)C)CC3)CC1.CC(C)(C)OC(=O)NC1(c2ncccc2Br)CC1.CN(C(=O)OC(C)(C)C)C1(c2ncccc2Br)CC1.CN(C(=O)c1cnn2c1CN(C(=O)OC(C)(C)C)CC2)C1(c2ncccc2Br)CC1.CN(C(=O)c1cnn2c1CN(C(=O)OC(C)(C)C)CC2)C1(c2ncccc2C(=O)O)CC1.CN(C(=O)c1cnn2c1CN(C(=O)OC(C)(C)C)CC2)C1(c2ncccc2C=O)CC1.CNC1(c2ncccc2Br)CC1.Fc1ncccc1Br.N#CC1(c2ncccc2Br)CC1.NC(=O)C1(c2ncccc2Br)CC1
InChIInChI=1S/C23H29N5O3.C22H27N5O5.C22H27N5O4.C21H26BrN5O3.C14H19BrN2O2.C13H17BrN2O2.C9H9BrN2O.C9H11BrN2.C9H7BrN2.C5H3BrFN/c1-6-16-8-7-11-24-19(16)23(9-10-23)26(5)20(29)17-14-25-28-13-12-27(15-18(17)28)21(30)31-22(2,3)4;1-21(2,3)32-20(31)26-10-11-27-16(13-26)15(12-24-27)18(28)25(4)22(7-8-22)17-14(19(29)30)6-5-9-23-17;1-21(2,3)31-20(30)26-10-11-27-17(13-26)16(12-24-27)19(29)25(4)22(7-8-22)18-15(14-28)6-5-9-23-18;1-20(2,3)30-19(29)26-10-11-27-16(13-26)14(12-24-27)18(28)25(4)21(7-8-21)17-15(22)6-5-9-23-17;1-13(2,3)19-12(18)17(4)14(7-8-14)11-10(15)6-5-9-16-11;1-12(2,3)18-11(17)16-13(6-7-13)10-9(14)5-4-8-15-10;10-6-2-1-5-12-7(6)9(3-4-9)8(11)13;1-11-9(4-5-9)8-7(10)3-2-6-12-8;10-7-2-1-5-12-8(7)9(6-11)3-4-9;6-4-2-1-3-8-5(4)7/h6-8,11,14H,1,9-10,12-13,15H2,2-5H3;5-6,9,12H,7-8,10-11,13H2,1-4H3,(H,29,30);5-6,9,12,14H,7-8,10-11,13H2,1-4H3;5-6,9,12H,7-8,10-11,13H2,1-4H3;5-6,9H,7-8H2,1-4H3;4-5,8H,6-7H2,1-3H3,(H,16,17);1-2,5H,3-4H2,(H2,11,13);2-3,6,11H,4-5H2,1H3;1-2,5H,3-4H2;1-3H
InChIKeyIXNPXOWDXGUHAP-UHFFFAOYSA-N
XLogP26.93
TPSA600.73 Ų
H-Bond Donors4
H-Bond Acceptors39
Rotatable Bonds24
Heavy Atoms206
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003274.54
LogP ≤ 526.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 3-bromo-2-fluoropyridine;1-(3-bromo-2-pyridinyl)cyclopropane-1-carbonitrile;1-(3-bromo-2-pyridinyl)cyclopropane-1-carboxamide;1-(3-bromo-2-pyridinyl)-N-methylcyclopropan-1-amine;tert-butyl N-[1-(3-bromo-2-pyridinyl)cyclopropyl]carbamate;tert-butyl N-[1-(3-bromo-2-pyridinyl)cyclopropyl]-N-methylcarbamate;tert-butyl 3-[[1-(3-bromo-2-pyridinyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-(3-ethenyl-2-pyridinyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-(3-formyl-2-pyridinyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;2-[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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-fluoropyridine;1-(3-bromo-2-pyridinyl)cyclopropane-1-carbonitrile;1-(3-bromo-2-pyridinyl)cyclopropane-1-carboxamide;1-(3-bromo-2-pyridinyl)-N-methylcyclopropan-1-amine;tert-butyl N-[1-(3-bromo-2-pyridinyl)cyclopropyl]carbamate;tert-butyl N-[1-(3-bromo-2-pyridinyl)cyclopropyl]-N-methylcarbamate;tert-butyl 3-[[1-(3-bromo-2-pyridinyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-(3-ethenyl-2-pyridinyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-(3-formyl-2-pyridinyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;2-[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 3-bromo-2-fluoropyridine;1-(3-bromo-2-pyridinyl)cyclopropane-1-carbonitrile;1-(3-bromo-2-pyridinyl)cyclopropane-1-carboxamide;1-(3-bromo-2-pyridinyl)-N-methylcyclopropan-1-amine;tert-butyl N-[1-(3-bromo-2-pyridinyl)cyclopropyl]carbamate;tert-butyl N-[1-(3-bromo-2-pyridinyl)cyclopropyl]-N-methylcarbamate;tert-butyl 3-[[1-(3-bromo-2-pyridinyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-(3-ethenyl-2-pyridinyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-(3-formyl-2-pyridinyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;2-[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 167594843) is 3-bromo-2-fluoropyridine;1-(3-bromo-2-pyridinyl)cyclopropane-1-carbonitrile;1-(3-bromo-2-pyridinyl)cyclopropane-1-carboxamide;1-(3-bromo-2-pyridinyl)-N-methylcyclopropan-1-amine;tert-butyl N-[1-(3-bromo-2-pyridinyl)cyclopropyl]carbamate;tert-butyl N-[1-(3-bromo-2-pyridinyl)cyclopropyl]-N-methylcarbamate;tert-butyl 3-[[1-(3-bromo-2-pyridinyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-(3-ethenyl-2-pyridinyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-(3-formyl-2-pyridinyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;2-[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 3-bromo-2-fluoropyridine;1-(3-bromo-2-pyridinyl)cyclopropane-1-carbonitrile;1-(3-bromo-2-pyridinyl)cyclopropane-1-carboxamide;1-(3-bromo-2-pyridinyl)-N-methylcyclopropan-1-amine;tert-butyl N-[1-(3-bromo-2-pyridinyl)cyclopropyl]carbamate;tert-butyl N-[1-(3-bromo-2-pyridinyl)cyclopropyl]-N-methylcarbamate;tert-butyl 3-[[1-(3-bromo-2-pyridinyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-(3-ethenyl-2-pyridinyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-(3-formyl-2-pyridinyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;2-[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 3-bromo-2-fluoropyridine;1-(3-bromo-2-pyridinyl)cyclopropane-1-carbonitrile;1-(3-bromo-2-pyridinyl)cyclopropane-1-carboxamide;1-(3-bromo-2-pyridinyl)-N-methylcyclopropan-1-amine;tert-butyl N-[1-(3-bromo-2-pyridinyl)cyclopropyl]carbamate;tert-butyl N-[1-(3-bromo-2-pyridinyl)cyclopropyl]-N-methylcarbamate;tert-butyl 3-[[1-(3-bromo-2-pyridinyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-(3-ethenyl-2-pyridinyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-(3-formyl-2-pyridinyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;2-[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 C=Cc1cccnc1C1(N(C)C(=O)c2cnn3c2CN(C(=O)OC(C)(C)C)CC3)CC1.CC(C)(C)OC(=O)NC1(c2ncccc2Br)CC1.CN(C(=O)OC(C)(C)C)C1(c2ncccc2Br)CC1.CN(C(=O)c1cnn2c1CN(C(=O)OC(C)(C)C)CC2)C1(c2ncccc2Br)CC1.CN(C(=O)c1cnn2c1CN(C(=O)OC(C)(C)C)CC2)C1(c2ncccc2C(=O)O)CC1.CN(C(=O)c1cnn2c1CN(C(=O)OC(C)(C)C)CC2)C1(c2ncccc2C=O)CC1.CNC1(c2ncccc2Br)CC1.Fc1ncccc1Br.N#CC1(c2ncccc2Br)CC1.NC(=O)C1(c2ncccc2Br)CC1.
What is the InChIKey of 3-bromo-2-fluoropyridine;1-(3-bromo-2-pyridinyl)cyclopropane-1-carbonitrile;1-(3-bromo-2-pyridinyl)cyclopropane-1-carboxamide;1-(3-bromo-2-pyridinyl)-N-methylcyclopropan-1-amine;tert-butyl N-[1-(3-bromo-2-pyridinyl)cyclopropyl]carbamate;tert-butyl N-[1-(3-bromo-2-pyridinyl)cyclopropyl]-N-methylcarbamate;tert-butyl 3-[[1-(3-bromo-2-pyridinyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-(3-ethenyl-2-pyridinyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-(3-formyl-2-pyridinyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;2-[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 IXNPXOWDXGUHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O3.C22H27N5O5.C22H27N5O4.C21H26BrN5O3.C14H19BrN2O2.C13H17BrN2O2.C9H9BrN2O.C9H11BrN2.C9H7BrN2.C5H3BrFN/c1-6-16-8-7-11-24-19(16)23(9-10-23)26(5)20(29)17-14-25-28-13-12-27(15-18(17)28)21(30)31-22(2,3)4;1-21(2,3)32-20(31)26-10-11-27-16(13-26)15(12-24-27)18(28)25(4)22(7-8-22)17-14(19(29)30)6-5-9-23-17;1-21(2,3)31-20(30)26-10-11-27-17(13-26)16(12-24-27)19(29)25(4)22(7-8-22)18-15(14-28)6-5-9-23-18;1-20(2,3)30-19(29)26-10-11-27-16(13-26)14(12-24-27)18(28)25(4)21(7-8-21)17-15(22)6-5-9-23-17;1-13(2,3)19-12(18)17(4)14(7-8-14)11-10(15)6-5-9-16-11;1-12(2,3)18-11(17)16-13(6-7-13)10-9(14)5-4-8-15-10;10-6-2-1-5-12-7(6)9(3-4-9)8(11)13;1-11-9(4-5-9)8-7(10)3-2-6-12-8;10-7-2-1-5-12-8(7)9(6-11)3-4-9;6-4-2-1-3-8-5(4)7/h6-8,11,14H,1,9-10,12-13,15H2,2-5H3;5-6,9,12H,7-8,10-11,13H2,1-4H3,(H,29,30);5-6,9,12,14H,7-8,10-11,13H2,1-4H3;5-6,9,12H,7-8,10-11,13H2,1-4H3;5-6,9H,7-8H2,1-4H3;4-5,8H,6-7H2,1-3H3,(H,16,17);1-2,5H,3-4H2,(H2,11,13);2-3,6,11H,4-5H2,1H3;1-2,5H,3-4H2;1-3H.
What are the key properties of 3-bromo-2-fluoropyridine;1-(3-bromo-2-pyridinyl)cyclopropane-1-carbonitrile;1-(3-bromo-2-pyridinyl)cyclopropane-1-carboxamide;1-(3-bromo-2-pyridinyl)-N-methylcyclopropan-1-amine;tert-butyl N-[1-(3-bromo-2-pyridinyl)cyclopropyl]carbamate;tert-butyl N-[1-(3-bromo-2-pyridinyl)cyclopropyl]-N-methylcarbamate;tert-butyl 3-[[1-(3-bromo-2-pyridinyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-(3-ethenyl-2-pyridinyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-(3-formyl-2-pyridinyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;2-[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?
3-bromo-2-fluoropyridine;1-(3-bromo-2-pyridinyl)cyclopropane-1-carbonitrile;1-(3-bromo-2-pyridinyl)cyclopropane-1-carboxamide;1-(3-bromo-2-pyridinyl)-N-methylcyclopropan-1-amine;tert-butyl N-[1-(3-bromo-2-pyridinyl)cyclopropyl]carbamate;tert-butyl N-[1-(3-bromo-2-pyridinyl)cyclopropyl]-N-methylcarbamate;tert-butyl 3-[[1-(3-bromo-2-pyridinyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-(3-ethenyl-2-pyridinyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-(3-formyl-2-pyridinyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;2-[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 3274.54 g/mol, XLogP of 26.93, 24 rotatable bonds, 4 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-fluoropyridine;1-(3-bromo-2-pyridinyl)cyclopropane-1-carbonitrile;1-(3-bromo-2-pyridinyl)cyclopropane-1-carboxamide;1-(3-bromo-2-pyridinyl)-N-methylcyclopropan-1-amine;tert-butyl N-[1-(3-bromo-2-pyridinyl)cyclopropyl]carbamate;tert-butyl N-[1-(3-bromo-2-pyridinyl)cyclopropyl]-N-methylcarbamate;tert-butyl 3-[[1-(3-bromo-2-pyridinyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-(3-ethenyl-2-pyridinyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-(3-formyl-2-pyridinyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;2-[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 167594843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).