methyl 4-[ethyl-(1-phenylmethoxycarbonylpiperidin-4-yl)amino]-1,5-dimethylindazole-6-carboxylate

C26H32N4O4 — CID 154623710

IUPACmethyl 4-[ethyl-(1-phenylmethoxycarbonylpiperidin-4-yl)amino]-1,5-dimethylindazole-6-carboxylate
SMILESCCN(c1c(C)c(C(=O)OC)cc2c1cnn2C)C1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C26H32N4O4/c1-5-30(24-18(2)21(25(31)33-4)15-23-22(24)16-27-28(23)3)20-11-13-29(14-12-20)26(32)34-17-19-9-7-6-8-10-19/h6-10,15-16,20H,5,11-14,17H2,1-4H3
InChIKeyYUIDEJJHFLJPIK-UHFFFAOYSA-N
MW464.57 g/mol
LogP4.30
Rot. Bonds6

About methyl 4-[ethyl-(1-phenylmethoxycarbonylpiperidin-4-yl)amino]-1,5-dimethylindazole-6-carboxylate

methyl 4-[ethyl-(1-phenylmethoxycarbonylpiperidin-4-yl)amino]-1,5-dimethylindazole-6-carboxylate (PubChem CID 154623710) has the molecular formula C26H32N4O4 and a molecular weight of 464.57 g/mol. Its IUPAC name is methyl 4-[ethyl-(1-phenylmethoxycarbonylpiperidin-4-yl)amino]-1,5-dimethylindazole-6-carboxylate.

Molecular Properties

Compound Namemethyl 4-[ethyl-(1-phenylmethoxycarbonylpiperidin-4-yl)amino]-1,5-dimethylindazole-6-carboxylate
PubChem CID154623710
Molecular FormulaC26H32N4O4
Molecular Weight464.57 g/mol
Exact Mass464.24
IUPAC Namemethyl 4-[ethyl-(1-phenylmethoxycarbonylpiperidin-4-yl)amino]-1,5-dimethylindazole-6-carboxylate
SMILESCCN(c1c(C)c(C(=O)OC)cc2c1cnn2C)C1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C26H32N4O4/c1-5-30(24-18(2)21(25(31)33-4)15-23-22(24)16-27-28(23)3)20-11-13-29(14-12-20)26(32)34-17-19-9-7-6-8-10-19/h6-10,15-16,20H,5,11-14,17H2,1-4H3
InChIKeyYUIDEJJHFLJPIK-UHFFFAOYSA-N
XLogP4.30
TPSA76.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[ethyl-(1-phenylmethoxycarbonylpiperidin-4-yl)amino]-1,5-dimethylindazole-6-carboxylate?
The IUPAC name of methyl 4-[ethyl-(1-phenylmethoxycarbonylpiperidin-4-yl)amino]-1,5-dimethylindazole-6-carboxylate (CID 154623710) is methyl 4-[ethyl-(1-phenylmethoxycarbonylpiperidin-4-yl)amino]-1,5-dimethylindazole-6-carboxylate.
What is the SMILES notation for methyl 4-[ethyl-(1-phenylmethoxycarbonylpiperidin-4-yl)amino]-1,5-dimethylindazole-6-carboxylate?
The canonical SMILES for methyl 4-[ethyl-(1-phenylmethoxycarbonylpiperidin-4-yl)amino]-1,5-dimethylindazole-6-carboxylate is CCN(c1c(C)c(C(=O)OC)cc2c1cnn2C)C1CCN(C(=O)OCc2ccccc2)CC1.
What is the InChIKey of methyl 4-[ethyl-(1-phenylmethoxycarbonylpiperidin-4-yl)amino]-1,5-dimethylindazole-6-carboxylate?
The InChIKey is YUIDEJJHFLJPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O4/c1-5-30(24-18(2)21(25(31)33-4)15-23-22(24)16-27-28(23)3)20-11-13-29(14-12-20)26(32)34-17-19-9-7-6-8-10-19/h6-10,15-16,20H,5,11-14,17H2,1-4H3.
What are the key properties of methyl 4-[ethyl-(1-phenylmethoxycarbonylpiperidin-4-yl)amino]-1,5-dimethylindazole-6-carboxylate?
methyl 4-[ethyl-(1-phenylmethoxycarbonylpiperidin-4-yl)amino]-1,5-dimethylindazole-6-carboxylate has a molecular weight of 464.57 g/mol, XLogP of 4.30, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[ethyl-(1-phenylmethoxycarbonylpiperidin-4-yl)amino]-1,5-dimethylindazole-6-carboxylate is sourced from PubChem (CID 154623710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).