ethyl 7-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4,7-diazaspiro[2.5]octane-4-carboxylate

C23H25FN4O2 — CID 166916437

IUPACethyl 7-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4,7-diazaspiro[2.5]octane-4-carboxylate
SMILESCCOC(=O)N1CCN(c2cc3cnn(-c4ccc(F)cc4)c3cc2C)CC12CC2
InChIInChI=1S/C23H25FN4O2/c1-3-30-22(29)27-11-10-26(15-23(27)8-9-23)20-13-17-14-25-28(21(17)12-16(20)2)19-6-4-18(24)5-7-19/h4-7,12-14H,3,8-11,15H2,1-2H3
InChIKeyPCIDMJMABKQZJG-UHFFFAOYSA-N
MW408.48 g/mol
LogP4.28
Rot. Bonds3

About ethyl 7-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4,7-diazaspiro[2.5]octane-4-carboxylate

ethyl 7-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4,7-diazaspiro[2.5]octane-4-carboxylate (PubChem CID 166916437) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is ethyl 7-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4,7-diazaspiro[2.5]octane-4-carboxylate.

Molecular Properties

Compound Nameethyl 7-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4,7-diazaspiro[2.5]octane-4-carboxylate
PubChem CID166916437
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC Nameethyl 7-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4,7-diazaspiro[2.5]octane-4-carboxylate
SMILESCCOC(=O)N1CCN(c2cc3cnn(-c4ccc(F)cc4)c3cc2C)CC12CC2
InChIInChI=1S/C23H25FN4O2/c1-3-30-22(29)27-11-10-26(15-23(27)8-9-23)20-13-17-14-25-28(21(17)12-16(20)2)19-6-4-18(24)5-7-19/h4-7,12-14H,3,8-11,15H2,1-2H3
InChIKeyPCIDMJMABKQZJG-UHFFFAOYSA-N
XLogP4.28
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 7-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4,7-diazaspiro[2.5]octane-4-carboxylate with MolForge

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Related Compounds

4-(4-fluorophenyl)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one
CID 25205150
1-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-1H-indazole
CID 3239674
4-[1-(2-fluorophenyl)indazol-4-yl]-1-[2-[(3S)-3-fluoropyrrolidin-1-yl]-2-oxoethyl]piperazin-2-one
CID 127047251
isopropyl 3-[1-(2-fluorophenyl)-1H-indazol-4-yl]-2-oxoimidazolidine-1-carboxylate
CID 118937589
isobutyl 3-[1-(2-fluorophenyl)-1H-indazol-4-yl]-2-oxoimidazolidine-1-carboxylate
CID 118937698
US11787780, Example 123
CID 163929452
US11787780, Example 126
CID 163929453
US11787780, Example 58
CID 166916138
US11787780, Example 45
CID 166916158
US11787780, Example 116
CID 166916196
US11787780, Example 100
CID 166916420
US11787780, Example 101
CID 166916428

Frequently Asked Questions

What is the IUPAC name of ethyl 7-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4,7-diazaspiro[2.5]octane-4-carboxylate?
The IUPAC name of ethyl 7-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4,7-diazaspiro[2.5]octane-4-carboxylate (CID 166916437) is ethyl 7-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4,7-diazaspiro[2.5]octane-4-carboxylate.
What is the SMILES notation for ethyl 7-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4,7-diazaspiro[2.5]octane-4-carboxylate?
The canonical SMILES for ethyl 7-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4,7-diazaspiro[2.5]octane-4-carboxylate is CCOC(=O)N1CCN(c2cc3cnn(-c4ccc(F)cc4)c3cc2C)CC12CC2.
What is the InChIKey of ethyl 7-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4,7-diazaspiro[2.5]octane-4-carboxylate?
The InChIKey is PCIDMJMABKQZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2/c1-3-30-22(29)27-11-10-26(15-23(27)8-9-23)20-13-17-14-25-28(21(17)12-16(20)2)19-6-4-18(24)5-7-19/h4-7,12-14H,3,8-11,15H2,1-2H3.
What are the key properties of ethyl 7-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4,7-diazaspiro[2.5]octane-4-carboxylate?
ethyl 7-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4,7-diazaspiro[2.5]octane-4-carboxylate has a molecular weight of 408.48 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4,7-diazaspiro[2.5]octane-4-carboxylate is sourced from PubChem (CID 166916437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).