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Methyl 1,5-dimethyl-4-[[4-methyl-4-(phenylmethoxycarbonylamino)cyclohexyl]amino]indazole-6-carboxylate

C26H32N4O4 — CID 154623688

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACmethyl 1,5-dimethyl-4-[[4-methyl-4-(phenylmethoxycarbonylamino)cyclohexyl]amino]indazole-6-carboxylate
SMILESCOC(=O)c1cc2c(cnn2C)c(NC2CCC(C)(NC(=O)OCc3ccccc3)CC2)c1C
InChIInChI=1S/C26H32N4O4/c1-17-20(24(31)33-4)14-22-21(15-27-30(22)3)23(17)28-19-10-12-26(2,13-11-19)29-25(32)34-16-18-8-6-5-7-9-18/h5-9,14-15,19,28H,10-13,16H2,1-4H3,(H,29,32)
InChIKeyTYFPZZZRALCTOW-UHFFFAOYSA-N
MW464.57 g/mol
LogP4.71
Rot. Bonds6

About Methyl 1,5-dimethyl-4-[[4-methyl-4-(phenylmethoxycarbonylamino)cyclohexyl]amino]indazole-6-carboxylate

Methyl 1,5-dimethyl-4-[[4-methyl-4-(phenylmethoxycarbonylamino)cyclohexyl]amino]indazole-6-carboxylate (PubChem CID 154623688) has the molecular formula C26H32N4O4 and a molecular weight of 464.57 g/mol. Its IUPAC name is methyl 1,5-dimethyl-4-[[4-methyl-4-(phenylmethoxycarbonylamino)cyclohexyl]amino]indazole-6-carboxylate.

Molecular Properties

Compound NameMethyl 1,5-dimethyl-4-[[4-methyl-4-(phenylmethoxycarbonylamino)cyclohexyl]amino]indazole-6-carboxylate
PubChem CID154623688
Molecular FormulaC26H32N4O4
Molecular Weight464.57 g/mol
Exact Mass464.24
IUPAC Namemethyl 1,5-dimethyl-4-[[4-methyl-4-(phenylmethoxycarbonylamino)cyclohexyl]amino]indazole-6-carboxylate
SMILESCOC(=O)c1cc2c(cnn2C)c(NC2CCC(C)(NC(=O)OCc3ccccc3)CC2)c1C
InChIInChI=1S/C26H32N4O4/c1-17-20(24(31)33-4)14-22-21(15-27-30(22)3)23(17)28-19-10-12-26(2,13-11-19)29-25(32)34-16-18-8-6-5-7-9-18/h5-9,14-15,19,28H,10-13,16H2,1-4H3,(H,29,32)
InChIKeyTYFPZZZRALCTOW-UHFFFAOYSA-N
XLogP4.71
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of Methyl 1,5-dimethyl-4-[[4-methyl-4-(phenylmethoxycarbonylamino)cyclohexyl]amino]indazole-6-carboxylate?
The IUPAC name of Methyl 1,5-dimethyl-4-[[4-methyl-4-(phenylmethoxycarbonylamino)cyclohexyl]amino]indazole-6-carboxylate (CID 154623688) is methyl 1,5-dimethyl-4-[[4-methyl-4-(phenylmethoxycarbonylamino)cyclohexyl]amino]indazole-6-carboxylate.
What is the SMILES notation for Methyl 1,5-dimethyl-4-[[4-methyl-4-(phenylmethoxycarbonylamino)cyclohexyl]amino]indazole-6-carboxylate?
The canonical SMILES for Methyl 1,5-dimethyl-4-[[4-methyl-4-(phenylmethoxycarbonylamino)cyclohexyl]amino]indazole-6-carboxylate is COC(=O)c1cc2c(cnn2C)c(NC2CCC(C)(NC(=O)OCc3ccccc3)CC2)c1C.
What is the InChIKey of Methyl 1,5-dimethyl-4-[[4-methyl-4-(phenylmethoxycarbonylamino)cyclohexyl]amino]indazole-6-carboxylate?
The InChIKey is TYFPZZZRALCTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O4/c1-17-20(24(31)33-4)14-22-21(15-27-30(22)3)23(17)28-19-10-12-26(2,13-11-19)29-25(32)34-16-18-8-6-5-7-9-18/h5-9,14-15,19,28H,10-13,16H2,1-4H3,(H,29,32).
What are the key properties of Methyl 1,5-dimethyl-4-[[4-methyl-4-(phenylmethoxycarbonylamino)cyclohexyl]amino]indazole-6-carboxylate?
Methyl 1,5-dimethyl-4-[[4-methyl-4-(phenylmethoxycarbonylamino)cyclohexyl]amino]indazole-6-carboxylate has a molecular weight of 464.57 g/mol, XLogP of 4.71, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for Methyl 1,5-dimethyl-4-[[4-methyl-4-(phenylmethoxycarbonylamino)cyclohexyl]amino]indazole-6-carboxylate is sourced from PubChem (CID 154623688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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