bis(3-(2-chloro-4-pyridinyl)-5-propan-2-yloxy-1-tritylindazole);bis(2-methoxyethanamine);N-(2-methoxyethyl)-4-(6-propan-2-yloxy-3H-isoindol-1-yl)pyridin-2-amine;bis(N-(2-methoxyethyl)-4-(5-propan-2-yloxy-1-tritylindazol-3-yl)pyridin-2-amine)

C167H169Cl2N19O10 — CID 159115240

IUPACbis(3-(2-chloro-4-pyridinyl)-5-propan-2-yloxy-1-tritylindazole);bis(2-methoxyethanamine);N-(2-methoxyethyl)-4-(6-propan-2-yloxy-3H-isoindol-1-yl)pyridin-2-amine;bis(N-(2-methoxyethyl)-4-(5-propan-2-yloxy-1-tritylindazol-3-yl)pyridin-2-amine)
SMILESCC(C)Oc1ccc2c(c1)c(-c1ccnc(Cl)c1)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1.CC(C)Oc1ccc2c(c1)c(-c1ccnc(Cl)c1)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1.COCCN.COCCN.COCCNc1cc(-c2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c3ccc(OC(C)C)cc23)ccn1.COCCNc1cc(-c2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c3ccc(OC(C)C)cc23)ccn1.COCCNc1cc(C2=NCc3ccc(OC(C)C)cc32)ccn1
InChIInChI=1S/2C37H36N4O2.2C34H28ClN3O.C19H23N3O2.2C3H9NO/c2*1-27(2)43-32-19-20-34-33(26-32)36(28-21-22-38-35(25-28)39-23-24-42-3)40-41(34)37(29-13-7-4-8-14-29,30-15-9-5-10-16-30)31-17-11-6-12-18-31;2*1-24(2)39-29-18-19-31-30(23-29)33(25-20-21-36-32(35)22-25)37-38(31)34(26-12-6-3-7-13-26,27-14-8-4-9-15-27)28-16-10-5-11-17-28;1-13(2)24-16-5-4-15-12-22-19(17(15)11-16)14-6-7-20-18(10-14)21-8-9-23-3;2*1-5-3-2-4/h2*4-22,25-27H,23-24H2,1-3H3,(H,38,39);2*3-24H,1-2H3;4-7,10-11,13H,8-9,12H2,1-3H3,(H,20,21);2*2-4H2,1H3
InChIKeyKEZPCPCDIAUPJU-UHFFFAOYSA-N
MW2673.22 g/mol
LogP34.79
Rot. Bonds47

About bis(3-(2-chloro-4-pyridinyl)-5-propan-2-yloxy-1-tritylindazole);bis(2-methoxyethanamine);N-(2-methoxyethyl)-4-(6-propan-2-yloxy-3H-isoindol-1-yl)pyridin-2-amine;bis(N-(2-methoxyethyl)-4-(5-propan-2-yloxy-1-tritylindazol-3-yl)pyridin-2-amine)

bis(3-(2-chloro-4-pyridinyl)-5-propan-2-yloxy-1-tritylindazole);bis(2-methoxyethanamine);N-(2-methoxyethyl)-4-(6-propan-2-yloxy-3H-isoindol-1-yl)pyridin-2-amine;bis(N-(2-methoxyethyl)-4-(5-propan-2-yloxy-1-tritylindazol-3-yl)pyridin-2-amine) (PubChem CID 159115240) has the molecular formula C167H169Cl2N19O10 and a molecular weight of 2673.22 g/mol. Its IUPAC name is bis(3-(2-chloro-4-pyridinyl)-5-propan-2-yloxy-1-tritylindazole);bis(2-methoxyethanamine);N-(2-methoxyethyl)-4-(6-propan-2-yloxy-3H-isoindol-1-yl)pyridin-2-amine;bis(N-(2-methoxyethyl)-4-(5-propan-2-yloxy-1-tritylindazol-3-yl)pyridin-2-amine).

Molecular Properties

Compound Namebis(3-(2-chloro-4-pyridinyl)-5-propan-2-yloxy-1-tritylindazole);bis(2-methoxyethanamine);N-(2-methoxyethyl)-4-(6-propan-2-yloxy-3H-isoindol-1-yl)pyridin-2-amine;bis(N-(2-methoxyethyl)-4-(5-propan-2-yloxy-1-tritylindazol-3-yl)pyridin-2-amine)
PubChem CID159115240
Molecular FormulaC167H169Cl2N19O10
Molecular Weight2673.22 g/mol
Exact Mass2670.27
IUPAC Namebis(3-(2-chloro-4-pyridinyl)-5-propan-2-yloxy-1-tritylindazole);bis(2-methoxyethanamine);N-(2-methoxyethyl)-4-(6-propan-2-yloxy-3H-isoindol-1-yl)pyridin-2-amine;bis(N-(2-methoxyethyl)-4-(5-propan-2-yloxy-1-tritylindazol-3-yl)pyridin-2-amine)
SMILESCC(C)Oc1ccc2c(c1)c(-c1ccnc(Cl)c1)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1.CC(C)Oc1ccc2c(c1)c(-c1ccnc(Cl)c1)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1.COCCN.COCCN.COCCNc1cc(-c2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c3ccc(OC(C)C)cc23)ccn1.COCCNc1cc(-c2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c3ccc(OC(C)C)cc23)ccn1.COCCNc1cc(C2=NCc3ccc(OC(C)C)cc32)ccn1
InChIInChI=1S/2C37H36N4O2.2C34H28ClN3O.C19H23N3O2.2C3H9NO/c2*1-27(2)43-32-19-20-34-33(26-32)36(28-21-22-38-35(25-28)39-23-24-42-3)40-41(34)37(29-13-7-4-8-14-29,30-15-9-5-10-16-30)31-17-11-6-12-18-31;2*1-24(2)39-29-18-19-31-30(23-29)33(25-20-21-36-32(35)22-25)37-38(31)34(26-12-6-3-7-13-26,27-14-8-4-9-15-27)28-16-10-5-11-17-28;1-13(2)24-16-5-4-15-12-22-19(17(15)11-16)14-6-7-20-18(10-14)21-8-9-23-3;2*1-5-3-2-4/h2*4-22,25-27H,23-24H2,1-3H3,(H,38,39);2*3-24H,1-2H3;4-7,10-11,13H,8-9,12H2,1-3H3,(H,20,21);2*2-4H2,1H3
InChIKeyKEZPCPCDIAUPJU-UHFFFAOYSA-N
XLogP34.79
TPSA328.52 Ų
H-Bond Donors5
H-Bond Acceptors29
Rotatable Bonds47
Heavy Atoms198
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002673.22
LogP ≤ 534.79
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze bis(3-(2-chloro-4-pyridinyl)-5-propan-2-yloxy-1-tritylindazole);bis(2-methoxyethanamine);N-(2-methoxyethyl)-4-(6-propan-2-yloxy-3H-isoindol-1-yl)pyridin-2-amine;bis(N-(2-methoxyethyl)-4-(5-propan-2-yloxy-1-tritylindazol-3-yl)pyridin-2-amine) with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(3-(2-chloro-4-pyridinyl)-5-propan-2-yloxy-1-tritylindazole);bis(2-methoxyethanamine);N-(2-methoxyethyl)-4-(6-propan-2-yloxy-3H-isoindol-1-yl)pyridin-2-amine;bis(N-(2-methoxyethyl)-4-(5-propan-2-yloxy-1-tritylindazol-3-yl)pyridin-2-amine)?
The IUPAC name of bis(3-(2-chloro-4-pyridinyl)-5-propan-2-yloxy-1-tritylindazole);bis(2-methoxyethanamine);N-(2-methoxyethyl)-4-(6-propan-2-yloxy-3H-isoindol-1-yl)pyridin-2-amine;bis(N-(2-methoxyethyl)-4-(5-propan-2-yloxy-1-tritylindazol-3-yl)pyridin-2-amine) (CID 159115240) is bis(3-(2-chloro-4-pyridinyl)-5-propan-2-yloxy-1-tritylindazole);bis(2-methoxyethanamine);N-(2-methoxyethyl)-4-(6-propan-2-yloxy-3H-isoindol-1-yl)pyridin-2-amine;bis(N-(2-methoxyethyl)-4-(5-propan-2-yloxy-1-tritylindazol-3-yl)pyridin-2-amine).
What is the SMILES notation for bis(3-(2-chloro-4-pyridinyl)-5-propan-2-yloxy-1-tritylindazole);bis(2-methoxyethanamine);N-(2-methoxyethyl)-4-(6-propan-2-yloxy-3H-isoindol-1-yl)pyridin-2-amine;bis(N-(2-methoxyethyl)-4-(5-propan-2-yloxy-1-tritylindazol-3-yl)pyridin-2-amine)?
The canonical SMILES for bis(3-(2-chloro-4-pyridinyl)-5-propan-2-yloxy-1-tritylindazole);bis(2-methoxyethanamine);N-(2-methoxyethyl)-4-(6-propan-2-yloxy-3H-isoindol-1-yl)pyridin-2-amine;bis(N-(2-methoxyethyl)-4-(5-propan-2-yloxy-1-tritylindazol-3-yl)pyridin-2-amine) is CC(C)Oc1ccc2c(c1)c(-c1ccnc(Cl)c1)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1.CC(C)Oc1ccc2c(c1)c(-c1ccnc(Cl)c1)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1.COCCN.COCCN.COCCNc1cc(-c2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c3ccc(OC(C)C)cc23)ccn1.COCCNc1cc(-c2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c3ccc(OC(C)C)cc23)ccn1.COCCNc1cc(C2=NCc3ccc(OC(C)C)cc32)ccn1.
What is the InChIKey of bis(3-(2-chloro-4-pyridinyl)-5-propan-2-yloxy-1-tritylindazole);bis(2-methoxyethanamine);N-(2-methoxyethyl)-4-(6-propan-2-yloxy-3H-isoindol-1-yl)pyridin-2-amine;bis(N-(2-methoxyethyl)-4-(5-propan-2-yloxy-1-tritylindazol-3-yl)pyridin-2-amine)?
The InChIKey is KEZPCPCDIAUPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C37H36N4O2.2C34H28ClN3O.C19H23N3O2.2C3H9NO/c2*1-27(2)43-32-19-20-34-33(26-32)36(28-21-22-38-35(25-28)39-23-24-42-3)40-41(34)37(29-13-7-4-8-14-29,30-15-9-5-10-16-30)31-17-11-6-12-18-31;2*1-24(2)39-29-18-19-31-30(23-29)33(25-20-21-36-32(35)22-25)37-38(31)34(26-12-6-3-7-13-26,27-14-8-4-9-15-27)28-16-10-5-11-17-28;1-13(2)24-16-5-4-15-12-22-19(17(15)11-16)14-6-7-20-18(10-14)21-8-9-23-3;2*1-5-3-2-4/h2*4-22,25-27H,23-24H2,1-3H3,(H,38,39);2*3-24H,1-2H3;4-7,10-11,13H,8-9,12H2,1-3H3,(H,20,21);2*2-4H2,1H3.
What are the key properties of bis(3-(2-chloro-4-pyridinyl)-5-propan-2-yloxy-1-tritylindazole);bis(2-methoxyethanamine);N-(2-methoxyethyl)-4-(6-propan-2-yloxy-3H-isoindol-1-yl)pyridin-2-amine;bis(N-(2-methoxyethyl)-4-(5-propan-2-yloxy-1-tritylindazol-3-yl)pyridin-2-amine)?
bis(3-(2-chloro-4-pyridinyl)-5-propan-2-yloxy-1-tritylindazole);bis(2-methoxyethanamine);N-(2-methoxyethyl)-4-(6-propan-2-yloxy-3H-isoindol-1-yl)pyridin-2-amine;bis(N-(2-methoxyethyl)-4-(5-propan-2-yloxy-1-tritylindazol-3-yl)pyridin-2-amine) has a molecular weight of 2673.22 g/mol, XLogP of 34.79, 47 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-(2-chloro-4-pyridinyl)-5-propan-2-yloxy-1-tritylindazole);bis(2-methoxyethanamine);N-(2-methoxyethyl)-4-(6-propan-2-yloxy-3H-isoindol-1-yl)pyridin-2-amine;bis(N-(2-methoxyethyl)-4-(5-propan-2-yloxy-1-tritylindazol-3-yl)pyridin-2-amine) is sourced from PubChem (CID 159115240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).