N-[1-[(4-chlorophenyl)methyl]-5-[6-[[1-[(4-chlorophenyl)methyl]indazol-3-yl]carbamoyl]pyridazin-4-yl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
C38H27Cl2N9O2S — CID 146329884
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPACN-[1-[(4-chlorophenyl)methyl]-5-[6-[[1-[(4-chlorophenyl)methyl]indazol-3-yl]carbamoyl]pyridazin-4-yl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)Nc1nn(Cc2ccc(Cl)cc2)c2ccc(-c3cnnc(C(=O)Nc4nn(Cc5ccc(Cl)cc5)c5ccccc45)c3)cc12
InChIInChI=1S/C38H27Cl2N9O2S/c1-22-34(52-21-41-22)38(51)44-36-30-16-25(10-15-33(30)49(47-36)20-24-8-13-28(40)14-9-24)26-17-31(45-42-18-26)37(50)43-35-29-4-2-3-5-32(29)48(46-35)19-23-6-11-27(39)12-7-23/h2-18,21H,19-20H2,1H3,(H,43,46,50)(H,44,47,51)
InChIKeyGAMRXZMMUJBRNI-UHFFFAOYSA-N
MW744.67 g/mol
LogP8.52
Rot. Bonds9
About N-[1-[(4-chlorophenyl)methyl]-5-[6-[[1-[(4-chlorophenyl)methyl]indazol-3-yl]carbamoyl]pyridazin-4-yl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
N-[1-[(4-chlorophenyl)methyl]-5-[6-[[1-[(4-chlorophenyl)methyl]indazol-3-yl]carbamoyl]pyridazin-4-yl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 146329884) has the molecular formula C38H27Cl2N9O2S and a molecular weight of 744.67 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]-5-[6-[[1-[(4-chlorophenyl)methyl]indazol-3-yl]carbamoyl]pyridazin-4-yl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide.
Molecular Properties
| Compound Name | N-[1-[(4-chlorophenyl)methyl]-5-[6-[[1-[(4-chlorophenyl)methyl]indazol-3-yl]carbamoyl]pyridazin-4-yl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide |
|---|---|
| PubChem CID | 146329884 |
| Molecular Formula | C38H27Cl2N9O2S |
| Molecular Weight | 744.67 g/mol |
| Exact Mass | 743.14 |
| IUPAC Name | N-[1-[(4-chlorophenyl)methyl]-5-[6-[[1-[(4-chlorophenyl)methyl]indazol-3-yl]carbamoyl]pyridazin-4-yl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide |
| SMILES | Cc1ncsc1C(=O)Nc1nn(Cc2ccc(Cl)cc2)c2ccc(-c3cnnc(C(=O)Nc4nn(Cc5ccc(Cl)cc5)c5ccccc45)c3)cc12 |
| InChI | InChI=1S/C38H27Cl2N9O2S/c1-22-34(52-21-41-22)38(51)44-36-30-16-25(10-15-33(30)49(47-36)20-24-8-13-28(40)14-9-24)26-17-31(45-42-18-26)37(50)43-35-29-4-2-3-5-32(29)48(46-35)19-23-6-11-27(39)12-7-23/h2-18,21H,19-20H2,1H3,(H,43,46,50)(H,44,47,51) |
| InChIKey | GAMRXZMMUJBRNI-UHFFFAOYSA-N |
| XLogP | 8.52 |
| TPSA | 132.51 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Heavy Atoms | 52 |
| Complexity | — |
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 744.67 |
| LogP ≤ 5 | 8.52 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 10 |
Frequently Asked Questions
What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]-5-[6-[[1-[(4-chlorophenyl)methyl]indazol-3-yl]carbamoyl]pyridazin-4-yl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]-5-[6-[[1-[(4-chlorophenyl)methyl]indazol-3-yl]carbamoyl]pyridazin-4-yl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide (CID 146329884) is N-[1-[(4-chlorophenyl)methyl]-5-[6-[[1-[(4-chlorophenyl)methyl]indazol-3-yl]carbamoyl]pyridazin-4-yl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]-5-[6-[[1-[(4-chlorophenyl)methyl]indazol-3-yl]carbamoyl]pyridazin-4-yl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]-5-[6-[[1-[(4-chlorophenyl)methyl]indazol-3-yl]carbamoyl]pyridazin-4-yl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)Nc1nn(Cc2ccc(Cl)cc2)c2ccc(-c3cnnc(C(=O)Nc4nn(Cc5ccc(Cl)cc5)c5ccccc45)c3)cc12.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]-5-[6-[[1-[(4-chlorophenyl)methyl]indazol-3-yl]carbamoyl]pyridazin-4-yl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is GAMRXZMMUJBRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H27Cl2N9O2S/c1-22-34(52-21-41-22)38(51)44-36-30-16-25(10-15-33(30)49(47-36)20-24-8-13-28(40)14-9-24)26-17-31(45-42-18-26)37(50)43-35-29-4-2-3-5-32(29)48(46-35)19-23-6-11-27(39)12-7-23/h2-18,21H,19-20H2,1H3,(H,43,46,50)(H,44,47,51).
What are the key properties of N-[1-[(4-chlorophenyl)methyl]-5-[6-[[1-[(4-chlorophenyl)methyl]indazol-3-yl]carbamoyl]pyridazin-4-yl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide?
N-[1-[(4-chlorophenyl)methyl]-5-[6-[[1-[(4-chlorophenyl)methyl]indazol-3-yl]carbamoyl]pyridazin-4-yl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 744.67 g/mol, XLogP of 8.52, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]-5-[6-[[1-[(4-chlorophenyl)methyl]indazol-3-yl]carbamoyl]pyridazin-4-yl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 146329884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.
Sources
- PubChem CID 146329884 — identifiers, structure, computed properties (public domain)
How this page is built: methodology · editorial policy & corrections.
For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.