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

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 NameN-[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 CID146329884
Molecular FormulaC38H27Cl2N9O2S
Molecular Weight744.67 g/mol
Exact Mass743.14
IUPAC NameN-[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
XLogP8.52
TPSA132.51 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.67
LogP ≤ 58.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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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).