1-[7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidin-3-yl]ethanone;tert-butyl 5-chloro-3-trimethylstannylpyrrolo[2,3-b]pyridine-1-carboxylate;5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1R,2S)-2-fluorocyclopropan-1-amine;ethyl 7-[benzyl(methyl)amino]-5-[5-chloro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;2-iodopropane

C133H146Cl5FIN31O15Sn — CID 158753369

IUPAC1-[7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidin-3-yl]ethanone;tert-butyl 5-chloro-3-trimethylstannylpyrrolo[2,3-b]pyridine-1-carboxylate;5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1R,2S)-2-fluorocyclopropan-1-amine;ethyl 7-[benzyl(methyl)amino]-5-[5-chloro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;2-iodopropane
SMILESCC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(Cl)nc12.CC(C)(C)OC(=O)n1cc([Sn](C)(C)C)c2cc(Cl)cnc21.CC(C)I.CC(C)n1cc(-c2cc(N(C)C(=O)OC(C)(C)C)n3ncc(C(=O)O)c3n2)c2cc(Cl)cnc21.CCOC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3c[nH]c4ncc(Cl)cc34)nc12.CCOC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3cn(C(=O)OC(C)(C)C)c4ncc(Cl)cc34)nc12.CCOC(=O)c1cnn2c(NC)cc(-c3cn(C(C)C)c4ncccc34)nc12.N[C@@H]1C[C@@H]1F
InChIInChI=1S/C29H29ClN6O4.C24H21ClN6O2.C23H25ClN6O4.C20H22N6O2.C16H15ClN4O.C12H12ClN2O2.C3H6FN.C3H7I.3CH3.Sn/c1-6-39-27(37)21-15-32-36-24(34(5)16-18-10-8-7-9-11-18)13-23(33-26(21)36)22-17-35(28(38)40-29(2,3)4)25-20(22)12-19(30)14-31-25;1-3-33-24(32)19-13-28-31-21(30(2)14-15-7-5-4-6-8-15)10-20(29-23(19)31)18-12-27-22-17(18)9-16(25)11-26-22;1-12(2)29-11-16(14-7-13(24)9-25-19(14)29)17-8-18(28(6)22(33)34-23(3,4)5)30-20(27-17)15(10-26-30)21(31)32;1-5-28-20(27)14-10-23-26-17(21-4)9-16(24-19(14)26)15-11-25(12(2)3)18-13(15)7-6-8-22-18;1-11(22)13-9-18-21-15(8-14(17)19-16(13)21)20(2)10-12-6-4-3-5-7-12;1-12(2,3)17-11(16)15-5-4-8-6-9(13)7-14-10(8)15;4-2-1-3(2)5;1-3(2)4;;;;/h7-15,17H,6,16H2,1-5H3;4-13H,3,14H2,1-2H3,(H,26,27);7-12H,1-6H3,(H,31,32);6-12,21H,5H2,1-4H3;3-9H,10H2,1-2H3;5-7H,1-3H3;2-3H,1,5H2;3H,1-2H3;3*1H3;/t;;;;;;2-,3+;;;;;/m......0...../s1
InChIKeyINTIRZOVTWRHAO-FZGBYUHPSA-N
MW2860.71 g/mol
LogP28.45
Rot. Bonds26

About 1-[7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidin-3-yl]ethanone;tert-butyl 5-chloro-3-trimethylstannylpyrrolo[2,3-b]pyridine-1-carboxylate;5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1R,2S)-2-fluorocyclopropan-1-amine;ethyl 7-[benzyl(methyl)amino]-5-[5-chloro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;2-iodopropane

1-[7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidin-3-yl]ethanone;tert-butyl 5-chloro-3-trimethylstannylpyrrolo[2,3-b]pyridine-1-carboxylate;5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1R,2S)-2-fluorocyclopropan-1-amine;ethyl 7-[benzyl(methyl)amino]-5-[5-chloro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;2-iodopropane (PubChem CID 158753369) has the molecular formula C133H146Cl5FIN31O15Sn and a molecular weight of 2860.71 g/mol. Its IUPAC name is 1-[7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidin-3-yl]ethanone;tert-butyl 5-chloro-3-trimethylstannylpyrrolo[2,3-b]pyridine-1-carboxylate;5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1R,2S)-2-fluorocyclopropan-1-amine;ethyl 7-[benzyl(methyl)amino]-5-[5-chloro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;2-iodopropane.

Molecular Properties

Compound Name1-[7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidin-3-yl]ethanone;tert-butyl 5-chloro-3-trimethylstannylpyrrolo[2,3-b]pyridine-1-carboxylate;5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1R,2S)-2-fluorocyclopropan-1-amine;ethyl 7-[benzyl(methyl)amino]-5-[5-chloro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;2-iodopropane
PubChem CID158753369
Molecular FormulaC133H146Cl5FIN31O15Sn
Molecular Weight2860.71 g/mol
Exact Mass2857.81
IUPAC Name1-[7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidin-3-yl]ethanone;tert-butyl 5-chloro-3-trimethylstannylpyrrolo[2,3-b]pyridine-1-carboxylate;5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1R,2S)-2-fluorocyclopropan-1-amine;ethyl 7-[benzyl(methyl)amino]-5-[5-chloro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;2-iodopropane
SMILESCC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(Cl)nc12.CC(C)(C)OC(=O)n1cc([Sn](C)(C)C)c2cc(Cl)cnc21.CC(C)I.CC(C)n1cc(-c2cc(N(C)C(=O)OC(C)(C)C)n3ncc(C(=O)O)c3n2)c2cc(Cl)cnc21.CCOC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3c[nH]c4ncc(Cl)cc34)nc12.CCOC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3cn(C(=O)OC(C)(C)C)c4ncc(Cl)cc34)nc12.CCOC(=O)c1cnn2c(NC)cc(-c3cn(C(C)C)c4ncccc34)nc12.N[C@@H]1C[C@@H]1F
InChIInChI=1S/C29H29ClN6O4.C24H21ClN6O2.C23H25ClN6O4.C20H22N6O2.C16H15ClN4O.C12H12ClN2O2.C3H6FN.C3H7I.3CH3.Sn/c1-6-39-27(37)21-15-32-36-24(34(5)16-18-10-8-7-9-11-18)13-23(33-26(21)36)22-17-35(28(38)40-29(2,3)4)25-20(22)12-19(30)14-31-25;1-3-33-24(32)19-13-28-31-21(30(2)14-15-7-5-4-6-8-15)10-20(29-23(19)31)18-12-27-22-17(18)9-16(25)11-26-22;1-12(2)29-11-16(14-7-13(24)9-25-19(14)29)17-8-18(28(6)22(33)34-23(3,4)5)30-20(27-17)15(10-26-30)21(31)32;1-5-28-20(27)14-10-23-26-17(21-4)9-16(24-19(14)26)15-11-25(12(2)3)18-13(15)7-6-8-22-18;1-11(22)13-9-18-21-15(8-14(17)19-16(13)21)20(2)10-12-6-4-3-5-7-12;1-12(2,3)17-11(16)15-5-4-8-6-9(13)7-14-10(8)15;4-2-1-3(2)5;1-3(2)4;;;;/h7-15,17H,6,16H2,1-5H3;4-13H,3,14H2,1-2H3,(H,26,27);7-12H,1-6H3,(H,31,32);6-12,21H,5H2,1-4H3;3-9H,10H2,1-2H3;5-7H,1-3H3;2-3H,1,5H2;3H,1-2H3;3*1H3;/t;;;;;;2-,3+;;;;;/m......0...../s1
InChIKeyINTIRZOVTWRHAO-FZGBYUHPSA-N
XLogP28.45
TPSA514.09 Ų
H-Bond Donors4
H-Bond Acceptors43
Rotatable Bonds26
Heavy Atoms187
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002860.71
LogP ≤ 528.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

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

Analyze 1-[7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidin-3-yl]ethanone;tert-butyl 5-chloro-3-trimethylstannylpyrrolo[2,3-b]pyridine-1-carboxylate;5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1R,2S)-2-fluorocyclopropan-1-amine;ethyl 7-[benzyl(methyl)amino]-5-[5-chloro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;2-iodopropane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidin-3-yl]ethanone;tert-butyl 5-chloro-3-trimethylstannylpyrrolo[2,3-b]pyridine-1-carboxylate;5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1R,2S)-2-fluorocyclopropan-1-amine;ethyl 7-[benzyl(methyl)amino]-5-[5-chloro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;2-iodopropane?
The IUPAC name of 1-[7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidin-3-yl]ethanone;tert-butyl 5-chloro-3-trimethylstannylpyrrolo[2,3-b]pyridine-1-carboxylate;5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1R,2S)-2-fluorocyclopropan-1-amine;ethyl 7-[benzyl(methyl)amino]-5-[5-chloro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;2-iodopropane (CID 158753369) is 1-[7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidin-3-yl]ethanone;tert-butyl 5-chloro-3-trimethylstannylpyrrolo[2,3-b]pyridine-1-carboxylate;5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1R,2S)-2-fluorocyclopropan-1-amine;ethyl 7-[benzyl(methyl)amino]-5-[5-chloro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;2-iodopropane.
What is the SMILES notation for 1-[7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidin-3-yl]ethanone;tert-butyl 5-chloro-3-trimethylstannylpyrrolo[2,3-b]pyridine-1-carboxylate;5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1R,2S)-2-fluorocyclopropan-1-amine;ethyl 7-[benzyl(methyl)amino]-5-[5-chloro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;2-iodopropane?
The canonical SMILES for 1-[7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidin-3-yl]ethanone;tert-butyl 5-chloro-3-trimethylstannylpyrrolo[2,3-b]pyridine-1-carboxylate;5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1R,2S)-2-fluorocyclopropan-1-amine;ethyl 7-[benzyl(methyl)amino]-5-[5-chloro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;2-iodopropane is CC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(Cl)nc12.CC(C)(C)OC(=O)n1cc([Sn](C)(C)C)c2cc(Cl)cnc21.CC(C)I.CC(C)n1cc(-c2cc(N(C)C(=O)OC(C)(C)C)n3ncc(C(=O)O)c3n2)c2cc(Cl)cnc21.CCOC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3c[nH]c4ncc(Cl)cc34)nc12.CCOC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3cn(C(=O)OC(C)(C)C)c4ncc(Cl)cc34)nc12.CCOC(=O)c1cnn2c(NC)cc(-c3cn(C(C)C)c4ncccc34)nc12.N[C@@H]1C[C@@H]1F.
What is the InChIKey of 1-[7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidin-3-yl]ethanone;tert-butyl 5-chloro-3-trimethylstannylpyrrolo[2,3-b]pyridine-1-carboxylate;5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1R,2S)-2-fluorocyclopropan-1-amine;ethyl 7-[benzyl(methyl)amino]-5-[5-chloro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;2-iodopropane?
The InChIKey is INTIRZOVTWRHAO-FZGBYUHPSA-N. The full InChI is InChI=1S/C29H29ClN6O4.C24H21ClN6O2.C23H25ClN6O4.C20H22N6O2.C16H15ClN4O.C12H12ClN2O2.C3H6FN.C3H7I.3CH3.Sn/c1-6-39-27(37)21-15-32-36-24(34(5)16-18-10-8-7-9-11-18)13-23(33-26(21)36)22-17-35(28(38)40-29(2,3)4)25-20(22)12-19(30)14-31-25;1-3-33-24(32)19-13-28-31-21(30(2)14-15-7-5-4-6-8-15)10-20(29-23(19)31)18-12-27-22-17(18)9-16(25)11-26-22;1-12(2)29-11-16(14-7-13(24)9-25-19(14)29)17-8-18(28(6)22(33)34-23(3,4)5)30-20(27-17)15(10-26-30)21(31)32;1-5-28-20(27)14-10-23-26-17(21-4)9-16(24-19(14)26)15-11-25(12(2)3)18-13(15)7-6-8-22-18;1-11(22)13-9-18-21-15(8-14(17)19-16(13)21)20(2)10-12-6-4-3-5-7-12;1-12(2,3)17-11(16)15-5-4-8-6-9(13)7-14-10(8)15;4-2-1-3(2)5;1-3(2)4;;;;/h7-15,17H,6,16H2,1-5H3;4-13H,3,14H2,1-2H3,(H,26,27);7-12H,1-6H3,(H,31,32);6-12,21H,5H2,1-4H3;3-9H,10H2,1-2H3;5-7H,1-3H3;2-3H,1,5H2;3H,1-2H3;3*1H3;/t;;;;;;2-,3+;;;;;/m......0...../s1.
What are the key properties of 1-[7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidin-3-yl]ethanone;tert-butyl 5-chloro-3-trimethylstannylpyrrolo[2,3-b]pyridine-1-carboxylate;5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1R,2S)-2-fluorocyclopropan-1-amine;ethyl 7-[benzyl(methyl)amino]-5-[5-chloro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;2-iodopropane?
1-[7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidin-3-yl]ethanone;tert-butyl 5-chloro-3-trimethylstannylpyrrolo[2,3-b]pyridine-1-carboxylate;5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1R,2S)-2-fluorocyclopropan-1-amine;ethyl 7-[benzyl(methyl)amino]-5-[5-chloro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;2-iodopropane has a molecular weight of 2860.71 g/mol, XLogP of 28.45, 26 rotatable bonds, 4 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidin-3-yl]ethanone;tert-butyl 5-chloro-3-trimethylstannylpyrrolo[2,3-b]pyridine-1-carboxylate;5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1R,2S)-2-fluorocyclopropan-1-amine;ethyl 7-[benzyl(methyl)amino]-5-[5-chloro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;2-iodopropane is sourced from PubChem (CID 158753369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).