methyl 4-(1,4-dioxaspiro[4.5]decan-8-ylamino)-1,5-dimethylindazole-6-carboxylate

C19H25N3O4 — CID 146835268

IUPACmethyl 4-(1,4-dioxaspiro[4.5]decan-8-ylamino)-1,5-dimethylindazole-6-carboxylate
SMILESCOC(=O)c1cc2c(cnn2C)c(NC2CCC3(CC2)OCCO3)c1C
InChIInChI=1S/C19H25N3O4/c1-12-14(18(23)24-3)10-16-15(11-20-22(16)2)17(12)21-13-4-6-19(7-5-13)25-8-9-26-19/h10-11,13,21H,4-9H2,1-3H3
InChIKeySEZKFBJOAVGHAF-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.77
Rot. Bonds3

About methyl 4-(1,4-dioxaspiro[4.5]decan-8-ylamino)-1,5-dimethylindazole-6-carboxylate

methyl 4-(1,4-dioxaspiro[4.5]decan-8-ylamino)-1,5-dimethylindazole-6-carboxylate (PubChem CID 146835268) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is methyl 4-(1,4-dioxaspiro[4.5]decan-8-ylamino)-1,5-dimethylindazole-6-carboxylate.

Molecular Properties

Compound Namemethyl 4-(1,4-dioxaspiro[4.5]decan-8-ylamino)-1,5-dimethylindazole-6-carboxylate
PubChem CID146835268
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Namemethyl 4-(1,4-dioxaspiro[4.5]decan-8-ylamino)-1,5-dimethylindazole-6-carboxylate
SMILESCOC(=O)c1cc2c(cnn2C)c(NC2CCC3(CC2)OCCO3)c1C
InChIInChI=1S/C19H25N3O4/c1-12-14(18(23)24-3)10-16-15(11-20-22(16)2)17(12)21-13-4-6-19(7-5-13)25-8-9-26-19/h10-11,13,21H,4-9H2,1-3H3
InChIKeySEZKFBJOAVGHAF-UHFFFAOYSA-N
XLogP2.77
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(1,4-dioxaspiro[4.5]decan-8-ylamino)-1,5-dimethylindazole-6-carboxylate?
The IUPAC name of methyl 4-(1,4-dioxaspiro[4.5]decan-8-ylamino)-1,5-dimethylindazole-6-carboxylate (CID 146835268) is methyl 4-(1,4-dioxaspiro[4.5]decan-8-ylamino)-1,5-dimethylindazole-6-carboxylate.
What is the SMILES notation for methyl 4-(1,4-dioxaspiro[4.5]decan-8-ylamino)-1,5-dimethylindazole-6-carboxylate?
The canonical SMILES for methyl 4-(1,4-dioxaspiro[4.5]decan-8-ylamino)-1,5-dimethylindazole-6-carboxylate is COC(=O)c1cc2c(cnn2C)c(NC2CCC3(CC2)OCCO3)c1C.
What is the InChIKey of methyl 4-(1,4-dioxaspiro[4.5]decan-8-ylamino)-1,5-dimethylindazole-6-carboxylate?
The InChIKey is SEZKFBJOAVGHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-12-14(18(23)24-3)10-16-15(11-20-22(16)2)17(12)21-13-4-6-19(7-5-13)25-8-9-26-19/h10-11,13,21H,4-9H2,1-3H3.
What are the key properties of methyl 4-(1,4-dioxaspiro[4.5]decan-8-ylamino)-1,5-dimethylindazole-6-carboxylate?
methyl 4-(1,4-dioxaspiro[4.5]decan-8-ylamino)-1,5-dimethylindazole-6-carboxylate has a molecular weight of 359.43 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1,4-dioxaspiro[4.5]decan-8-ylamino)-1,5-dimethylindazole-6-carboxylate is sourced from PubChem (CID 146835268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).