1-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-5-fluoro-1-methylindazol-3-yl]pyrimidine-2,4-dione

C19H20FN5O4 — CID 156505740

IUPAC1-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-5-fluoro-1-methylindazol-3-yl]pyrimidine-2,4-dione
SMILESCn1nc(-n2ccc(=O)[nH]c2=O)c2cc(F)c(N3CCC4(CC3)OCCO4)cc21
InChIInChI=1S/C19H20FN5O4/c1-23-14-11-15(24-6-3-19(4-7-24)28-8-9-29-19)13(20)10-12(14)17(22-23)25-5-2-16(26)21-18(25)27/h2,5,10-11H,3-4,6-9H2,1H3,(H,21,26,27)
InChIKeyDLNYSQGMOZNLTL-UHFFFAOYSA-N
MW401.40 g/mol
LogP0.89
Rot. Bonds2

About 1-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-5-fluoro-1-methylindazol-3-yl]pyrimidine-2,4-dione

1-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-5-fluoro-1-methylindazol-3-yl]pyrimidine-2,4-dione (PubChem CID 156505740) has the molecular formula C19H20FN5O4 and a molecular weight of 401.40 g/mol. Its IUPAC name is 1-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-5-fluoro-1-methylindazol-3-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-5-fluoro-1-methylindazol-3-yl]pyrimidine-2,4-dione
PubChem CID156505740
Molecular FormulaC19H20FN5O4
Molecular Weight401.40 g/mol
Exact Mass401.15
IUPAC Name1-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-5-fluoro-1-methylindazol-3-yl]pyrimidine-2,4-dione
SMILESCn1nc(-n2ccc(=O)[nH]c2=O)c2cc(F)c(N3CCC4(CC3)OCCO4)cc21
InChIInChI=1S/C19H20FN5O4/c1-23-14-11-15(24-6-3-19(4-7-24)28-8-9-29-19)13(20)10-12(14)17(22-23)25-5-2-16(26)21-18(25)27/h2,5,10-11H,3-4,6-9H2,1H3,(H,21,26,27)
InChIKeyDLNYSQGMOZNLTL-UHFFFAOYSA-N
XLogP0.89
TPSA94.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.40
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-5-fluoro-1-methylindazol-3-yl]pyrimidine-2,4-dione with MolForge

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Related Compounds

1-(5-fluoro-1-methyl-6-piperidin-4-ylindazol-3-yl)pyrimidine-2,4-dione;hydrochloride
CID 174219883
1-(6-amino-1-methylindazol-3-yl)pyrimidine-2,4-dione
CID 170322271
1-[5-fluoro-1-methyl-6-(4-propan-2-ylpiperazin-1-yl)indazol-3-yl]-1,3-diazinane-2,4-dione
CID 166468113
8-(2,4-difluorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 20770651
1-cyclopropyl-7-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 15724453
1-[5-fluoro-6-(6-hydroxy-2-azaspiro[3.3]heptan-2-yl)-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione
CID 177011283
7-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoro-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid
CID 86574694
8-(2-fluorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 20610156
1-(1,6-dimethylindazol-3-yl)-5-fluoropyrimidine-2,4-dione
CID 169265766
1-(2,4-difluorophenyl)-7-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)-6-fluoro-4-oxoquinoline-3-carboxylic acid;ethoxyethane
CID 67869365
6-fluoro-1-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)quinolin-4-one
CID 141216800
1-[3-(2,6-dioxopiperidin-3-yl)-5-fluoro-1-methylindazol-6-yl]piperidine-4-carbaldehyde
CID 177144627

Frequently Asked Questions

What is the IUPAC name of 1-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-5-fluoro-1-methylindazol-3-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-5-fluoro-1-methylindazol-3-yl]pyrimidine-2,4-dione (CID 156505740) is 1-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-5-fluoro-1-methylindazol-3-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-5-fluoro-1-methylindazol-3-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-5-fluoro-1-methylindazol-3-yl]pyrimidine-2,4-dione is Cn1nc(-n2ccc(=O)[nH]c2=O)c2cc(F)c(N3CCC4(CC3)OCCO4)cc21.
What is the InChIKey of 1-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-5-fluoro-1-methylindazol-3-yl]pyrimidine-2,4-dione?
The InChIKey is DLNYSQGMOZNLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O4/c1-23-14-11-15(24-6-3-19(4-7-24)28-8-9-29-19)13(20)10-12(14)17(22-23)25-5-2-16(26)21-18(25)27/h2,5,10-11H,3-4,6-9H2,1H3,(H,21,26,27).
What are the key properties of 1-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-5-fluoro-1-methylindazol-3-yl]pyrimidine-2,4-dione?
1-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-5-fluoro-1-methylindazol-3-yl]pyrimidine-2,4-dione has a molecular weight of 401.40 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-5-fluoro-1-methylindazol-3-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 156505740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).