[7-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4,7-diazaspiro[2.5]octan-4-yl]-(1-methylpyrazol-4-yl)methanone

C25H25FN6O — CID 166916420

IUPAC[7-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4,7-diazaspiro[2.5]octan-4-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCc1cc2c(cnn2-c2ccc(F)cc2)cc1N1CCN(C(=O)c2cnn(C)c2)C2(CC2)C1
InChIInChI=1S/C25H25FN6O/c1-17-11-23-18(13-28-32(23)21-5-3-20(26)4-6-21)12-22(17)30-9-10-31(25(16-30)7-8-25)24(33)19-14-27-29(2)15-19/h3-6,11-15H,7-10,16H2,1-2H3
InChIKeyQZYFBYJGIYYLDX-UHFFFAOYSA-N
MW444.51 g/mol
LogP3.70
Rot. Bonds3

About [7-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4,7-diazaspiro[2.5]octan-4-yl]-(1-methylpyrazol-4-yl)methanone

[7-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4,7-diazaspiro[2.5]octan-4-yl]-(1-methylpyrazol-4-yl)methanone (PubChem CID 166916420) has the molecular formula C25H25FN6O and a molecular weight of 444.51 g/mol. Its IUPAC name is [7-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4,7-diazaspiro[2.5]octan-4-yl]-(1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[7-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4,7-diazaspiro[2.5]octan-4-yl]-(1-methylpyrazol-4-yl)methanone
PubChem CID166916420
Molecular FormulaC25H25FN6O
Molecular Weight444.51 g/mol
Exact Mass444.21
IUPAC Name[7-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4,7-diazaspiro[2.5]octan-4-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCc1cc2c(cnn2-c2ccc(F)cc2)cc1N1CCN(C(=O)c2cnn(C)c2)C2(CC2)C1
InChIInChI=1S/C25H25FN6O/c1-17-11-23-18(13-28-32(23)21-5-3-20(26)4-6-21)12-22(17)30-9-10-31(25(16-30)7-8-25)24(33)19-14-27-29(2)15-19/h3-6,11-15H,7-10,16H2,1-2H3
InChIKeyQZYFBYJGIYYLDX-UHFFFAOYSA-N
XLogP3.70
TPSA59.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-fluorophenyl)-6-methyl-5-[4-(1-methylpyrrol-3-yl)sulfonyl-4,7-diazaspiro[2.5]octan-7-yl]indazole
CID 170273752
[3-benzyl-3-[1-(4-fluorophenyl)-6-methylindazol-5-yl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 166916461
1-(4-fluorophenyl)-6-methyl-5-[4-(1-methylpyrazol-4-yl)sulfanylpiperidin-1-yl]indazole
CID 166917364
N-[(3R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]pyrrolidin-3-yl]-1-methylpyrazole-4-sulfonamide
CID 167337299
1-(4-fluorophenyl)-6-methylindazole-5-carboxylic acid
CID 90242362
N-[1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-4-yl]methanesulfonamide
CID 166916424
N-[1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-3-methylpyrrolidin-3-yl]-1-propylpyrazole-4-sulfonamide
CID 166917285
1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-N-methylpyrrolidine-3-sulfonamide
CID 163977915
1-(4-fluorophenyl)-6-methyl-5-[4-(1-propylpyrazol-4-yl)sulfonyl-4,7-diazaspiro[2.5]octan-7-yl]benzotriazole
CID 167337384
1-(4-fluorophenyl)-7-methyl-5-[4-(1-propylpyrazol-4-yl)sulfonyl-4,7-diazaspiro[2.5]octan-7-yl]indazole
CID 166916231
1-(4-fluorophenyl)-6-methyl-5-[1-(1-methylpyrazol-4-yl)sulfonyl-3-(phenoxymethyl)pyrrolidin-3-yl]indazole
CID 166916490
(1R,5R,6R)-3-benzoyl-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-3-azabicyclo[3.1.0]hexane-6-carbaldehyde
CID 168961215

Frequently Asked Questions

What is the IUPAC name of [7-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4,7-diazaspiro[2.5]octan-4-yl]-(1-methylpyrazol-4-yl)methanone?
The IUPAC name of [7-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4,7-diazaspiro[2.5]octan-4-yl]-(1-methylpyrazol-4-yl)methanone (CID 166916420) is [7-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4,7-diazaspiro[2.5]octan-4-yl]-(1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for [7-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4,7-diazaspiro[2.5]octan-4-yl]-(1-methylpyrazol-4-yl)methanone?
The canonical SMILES for [7-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4,7-diazaspiro[2.5]octan-4-yl]-(1-methylpyrazol-4-yl)methanone is Cc1cc2c(cnn2-c2ccc(F)cc2)cc1N1CCN(C(=O)c2cnn(C)c2)C2(CC2)C1.
What is the InChIKey of [7-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4,7-diazaspiro[2.5]octan-4-yl]-(1-methylpyrazol-4-yl)methanone?
The InChIKey is QZYFBYJGIYYLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN6O/c1-17-11-23-18(13-28-32(23)21-5-3-20(26)4-6-21)12-22(17)30-9-10-31(25(16-30)7-8-25)24(33)19-14-27-29(2)15-19/h3-6,11-15H,7-10,16H2,1-2H3.
What are the key properties of [7-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4,7-diazaspiro[2.5]octan-4-yl]-(1-methylpyrazol-4-yl)methanone?
[7-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4,7-diazaspiro[2.5]octan-4-yl]-(1-methylpyrazol-4-yl)methanone has a molecular weight of 444.51 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4,7-diazaspiro[2.5]octan-4-yl]-(1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 166916420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).