5-bromo-4,6-dichloropyrimidine;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[(5-bromo-6-chloropyrimidin-4-yl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[6-chloro-5-(5-phenoxyindazol-1-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[6-[(4-methoxyphenyl)methylamino]-5-(5-phenoxyindazol-1-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;(4-methoxyphenyl)methanamine;5-phenoxy-1H-indazole

C111H130Br2Cl4N24O13 — CID 159143805

IUPAC5-bromo-4,6-dichloropyrimidine;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[(5-bromo-6-chloropyrimidin-4-yl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[6-chloro-5-(5-phenoxyindazol-1-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[6-[(4-methoxyphenyl)methylamino]-5-(5-phenoxyindazol-1-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;(4-methoxyphenyl)methanamine;5-phenoxy-1H-indazole
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](N)C1.CC(C)(C)OC(=O)N1CCC[C@@H](Nc2ncnc(Cl)c2-n2ncc3cc(Oc4ccccc4)ccc32)C1.CC(C)(C)OC(=O)N1CCC[C@@H](Nc2ncnc(Cl)c2Br)C1.COc1ccc(CN)cc1.COc1ccc(CNc2ncnc(N[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)c2-n2ncc3cc(Oc4ccccc4)ccc32)cc1.Clc1ncnc(Cl)c1Br.c1ccc(Oc2ccc3[nH]ncc3c2)cc1
InChIInChI=1S/C35H39N7O4.C27H29ClN6O3.C14H20BrClN4O2.C13H10N2O.C10H20N2O2.C8H11NO.C4HBrCl2N2/c1-35(2,3)46-34(43)41-18-8-9-26(22-41)40-33-31(32(37-23-38-33)36-20-24-12-14-27(44-4)15-13-24)42-30-17-16-29(19-25(30)21-39-42)45-28-10-6-5-7-11-28;1-27(2,3)37-26(35)33-13-7-8-19(16-33)32-25-23(24(28)29-17-30-25)34-22-12-11-21(14-18(22)15-31-34)36-20-9-5-4-6-10-20;1-14(2,3)22-13(21)20-6-4-5-9(7-20)19-12-10(15)11(16)17-8-18-12;1-2-4-11(5-3-1)16-12-6-7-13-10(8-12)9-14-15-13;1-10(2,3)14-9(13)12-6-4-5-8(11)7-12;1-10-8-4-2-7(6-9)3-5-8;5-2-3(6)8-1-9-4(2)7/h5-7,10-17,19,21,23,26H,8-9,18,20,22H2,1-4H3,(H2,36,37,38,40);4-6,9-12,14-15,17,19H,7-8,13,16H2,1-3H3,(H,29,30,32);8-9H,4-7H2,1-3H3,(H,17,18,19);1-9H,(H,14,15);8H,4-7,11H2,1-3H3;2-5H,6,9H2,1H3;1H/t26-;19-;9-;;8-;;/m111.1../s1
InChIKeyKIKUDIWPINTJCS-RMHQSKIQSA-N
MW2310.04 g/mol
LogP25.22
Rot. Bonds20

About 5-bromo-4,6-dichloropyrimidine;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[(5-bromo-6-chloropyrimidin-4-yl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[6-chloro-5-(5-phenoxyindazol-1-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[6-[(4-methoxyphenyl)methylamino]-5-(5-phenoxyindazol-1-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;(4-methoxyphenyl)methanamine;5-phenoxy-1H-indazole

5-bromo-4,6-dichloropyrimidine;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[(5-bromo-6-chloropyrimidin-4-yl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[6-chloro-5-(5-phenoxyindazol-1-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[6-[(4-methoxyphenyl)methylamino]-5-(5-phenoxyindazol-1-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;(4-methoxyphenyl)methanamine;5-phenoxy-1H-indazole (PubChem CID 159143805) has the molecular formula C111H130Br2Cl4N24O13 and a molecular weight of 2310.04 g/mol. Its IUPAC name is 5-bromo-4,6-dichloropyrimidine;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[(5-bromo-6-chloropyrimidin-4-yl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[6-chloro-5-(5-phenoxyindazol-1-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[6-[(4-methoxyphenyl)methylamino]-5-(5-phenoxyindazol-1-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;(4-methoxyphenyl)methanamine;5-phenoxy-1H-indazole.

Molecular Properties

Compound Name5-bromo-4,6-dichloropyrimidine;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[(5-bromo-6-chloropyrimidin-4-yl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[6-chloro-5-(5-phenoxyindazol-1-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[6-[(4-methoxyphenyl)methylamino]-5-(5-phenoxyindazol-1-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;(4-methoxyphenyl)methanamine;5-phenoxy-1H-indazole
PubChem CID159143805
Molecular FormulaC111H130Br2Cl4N24O13
Molecular Weight2310.04 g/mol
Exact Mass2304.74
IUPAC Name5-bromo-4,6-dichloropyrimidine;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[(5-bromo-6-chloropyrimidin-4-yl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[6-chloro-5-(5-phenoxyindazol-1-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[6-[(4-methoxyphenyl)methylamino]-5-(5-phenoxyindazol-1-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;(4-methoxyphenyl)methanamine;5-phenoxy-1H-indazole
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](N)C1.CC(C)(C)OC(=O)N1CCC[C@@H](Nc2ncnc(Cl)c2-n2ncc3cc(Oc4ccccc4)ccc32)C1.CC(C)(C)OC(=O)N1CCC[C@@H](Nc2ncnc(Cl)c2Br)C1.COc1ccc(CN)cc1.COc1ccc(CNc2ncnc(N[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)c2-n2ncc3cc(Oc4ccccc4)ccc32)cc1.Clc1ncnc(Cl)c1Br.c1ccc(Oc2ccc3[nH]ncc3c2)cc1
InChIInChI=1S/C35H39N7O4.C27H29ClN6O3.C14H20BrClN4O2.C13H10N2O.C10H20N2O2.C8H11NO.C4HBrCl2N2/c1-35(2,3)46-34(43)41-18-8-9-26(22-41)40-33-31(32(37-23-38-33)36-20-24-12-14-27(44-4)15-13-24)42-30-17-16-29(19-25(30)21-39-42)45-28-10-6-5-7-11-28;1-27(2,3)37-26(35)33-13-7-8-19(16-33)32-25-23(24(28)29-17-30-25)34-22-12-11-21(14-18(22)15-31-34)36-20-9-5-4-6-10-20;1-14(2,3)22-13(21)20-6-4-5-9(7-20)19-12-10(15)11(16)17-8-18-12;1-2-4-11(5-3-1)16-12-6-7-13-10(8-12)9-14-15-13;1-10(2,3)14-9(13)12-6-4-5-8(11)7-12;1-10-8-4-2-7(6-9)3-5-8;5-2-3(6)8-1-9-4(2)7/h5-7,10-17,19,21,23,26H,8-9,18,20,22H2,1-4H3,(H2,36,37,38,40);4-6,9-12,14-15,17,19H,7-8,13,16H2,1-3H3,(H,29,30,32);8-9H,4-7H2,1-3H3,(H,17,18,19);1-9H,(H,14,15);8H,4-7,11H2,1-3H3;2-5H,6,9H2,1H3;1H/t26-;19-;9-;;8-;;/m111.1../s1
InChIKeyKIKUDIWPINTJCS-RMHQSKIQSA-N
XLogP25.22
TPSA431.91 Ų
H-Bond Donors7
H-Bond Acceptors32
Rotatable Bonds20
Heavy Atoms154
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002310.04
LogP ≤ 525.22
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

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

Analyze 5-bromo-4,6-dichloropyrimidine;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[(5-bromo-6-chloropyrimidin-4-yl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[6-chloro-5-(5-phenoxyindazol-1-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[6-[(4-methoxyphenyl)methylamino]-5-(5-phenoxyindazol-1-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;(4-methoxyphenyl)methanamine;5-phenoxy-1H-indazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4,6-dichloropyrimidine;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[(5-bromo-6-chloropyrimidin-4-yl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[6-chloro-5-(5-phenoxyindazol-1-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[6-[(4-methoxyphenyl)methylamino]-5-(5-phenoxyindazol-1-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;(4-methoxyphenyl)methanamine;5-phenoxy-1H-indazole?
The IUPAC name of 5-bromo-4,6-dichloropyrimidine;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[(5-bromo-6-chloropyrimidin-4-yl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[6-chloro-5-(5-phenoxyindazol-1-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[6-[(4-methoxyphenyl)methylamino]-5-(5-phenoxyindazol-1-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;(4-methoxyphenyl)methanamine;5-phenoxy-1H-indazole (CID 159143805) is 5-bromo-4,6-dichloropyrimidine;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[(5-bromo-6-chloropyrimidin-4-yl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[6-chloro-5-(5-phenoxyindazol-1-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[6-[(4-methoxyphenyl)methylamino]-5-(5-phenoxyindazol-1-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;(4-methoxyphenyl)methanamine;5-phenoxy-1H-indazole.
What is the SMILES notation for 5-bromo-4,6-dichloropyrimidine;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[(5-bromo-6-chloropyrimidin-4-yl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[6-chloro-5-(5-phenoxyindazol-1-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[6-[(4-methoxyphenyl)methylamino]-5-(5-phenoxyindazol-1-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;(4-methoxyphenyl)methanamine;5-phenoxy-1H-indazole?
The canonical SMILES for 5-bromo-4,6-dichloropyrimidine;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[(5-bromo-6-chloropyrimidin-4-yl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[6-chloro-5-(5-phenoxyindazol-1-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[6-[(4-methoxyphenyl)methylamino]-5-(5-phenoxyindazol-1-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;(4-methoxyphenyl)methanamine;5-phenoxy-1H-indazole is CC(C)(C)OC(=O)N1CCC[C@@H](N)C1.CC(C)(C)OC(=O)N1CCC[C@@H](Nc2ncnc(Cl)c2-n2ncc3cc(Oc4ccccc4)ccc32)C1.CC(C)(C)OC(=O)N1CCC[C@@H](Nc2ncnc(Cl)c2Br)C1.COc1ccc(CN)cc1.COc1ccc(CNc2ncnc(N[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)c2-n2ncc3cc(Oc4ccccc4)ccc32)cc1.Clc1ncnc(Cl)c1Br.c1ccc(Oc2ccc3[nH]ncc3c2)cc1.
What is the InChIKey of 5-bromo-4,6-dichloropyrimidine;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[(5-bromo-6-chloropyrimidin-4-yl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[6-chloro-5-(5-phenoxyindazol-1-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[6-[(4-methoxyphenyl)methylamino]-5-(5-phenoxyindazol-1-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;(4-methoxyphenyl)methanamine;5-phenoxy-1H-indazole?
The InChIKey is KIKUDIWPINTJCS-RMHQSKIQSA-N. The full InChI is InChI=1S/C35H39N7O4.C27H29ClN6O3.C14H20BrClN4O2.C13H10N2O.C10H20N2O2.C8H11NO.C4HBrCl2N2/c1-35(2,3)46-34(43)41-18-8-9-26(22-41)40-33-31(32(37-23-38-33)36-20-24-12-14-27(44-4)15-13-24)42-30-17-16-29(19-25(30)21-39-42)45-28-10-6-5-7-11-28;1-27(2,3)37-26(35)33-13-7-8-19(16-33)32-25-23(24(28)29-17-30-25)34-22-12-11-21(14-18(22)15-31-34)36-20-9-5-4-6-10-20;1-14(2,3)22-13(21)20-6-4-5-9(7-20)19-12-10(15)11(16)17-8-18-12;1-2-4-11(5-3-1)16-12-6-7-13-10(8-12)9-14-15-13;1-10(2,3)14-9(13)12-6-4-5-8(11)7-12;1-10-8-4-2-7(6-9)3-5-8;5-2-3(6)8-1-9-4(2)7/h5-7,10-17,19,21,23,26H,8-9,18,20,22H2,1-4H3,(H2,36,37,38,40);4-6,9-12,14-15,17,19H,7-8,13,16H2,1-3H3,(H,29,30,32);8-9H,4-7H2,1-3H3,(H,17,18,19);1-9H,(H,14,15);8H,4-7,11H2,1-3H3;2-5H,6,9H2,1H3;1H/t26-;19-;9-;;8-;;/m111.1../s1.
What are the key properties of 5-bromo-4,6-dichloropyrimidine;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[(5-bromo-6-chloropyrimidin-4-yl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[6-chloro-5-(5-phenoxyindazol-1-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[6-[(4-methoxyphenyl)methylamino]-5-(5-phenoxyindazol-1-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;(4-methoxyphenyl)methanamine;5-phenoxy-1H-indazole?
5-bromo-4,6-dichloropyrimidine;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[(5-bromo-6-chloropyrimidin-4-yl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[6-chloro-5-(5-phenoxyindazol-1-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[6-[(4-methoxyphenyl)methylamino]-5-(5-phenoxyindazol-1-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;(4-methoxyphenyl)methanamine;5-phenoxy-1H-indazole has a molecular weight of 2310.04 g/mol, XLogP of 25.22, 20 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4,6-dichloropyrimidine;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[(5-bromo-6-chloropyrimidin-4-yl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[6-chloro-5-(5-phenoxyindazol-1-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[6-[(4-methoxyphenyl)methylamino]-5-(5-phenoxyindazol-1-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;(4-methoxyphenyl)methanamine;5-phenoxy-1H-indazole is sourced from PubChem (CID 159143805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).