[7-(3-fluorophenyl)-8,8-dimethyl-1,7-diazaspiro[4.4]nonan-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone

C23H31FN4O — CID 155999733

IUPAC[7-(3-fluorophenyl)-8,8-dimethyl-1,7-diazaspiro[4.4]nonan-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone
SMILESCCCc1cc(C(=O)N2CCCC23CN(c2cccc(F)c2)C(C)(C)C3)n(C)n1
InChIInChI=1S/C23H31FN4O/c1-5-8-18-14-20(26(4)25-18)21(29)27-12-7-11-23(27)15-22(2,3)28(16-23)19-10-6-9-17(24)13-19/h6,9-10,13-14H,5,7-8,11-12,15-16H2,1-4H3
InChIKeyRIXKKVWRRYHVMA-UHFFFAOYSA-N
MW398.53 g/mol
LogP4.18
Rot. Bonds4

About [7-(3-fluorophenyl)-8,8-dimethyl-1,7-diazaspiro[4.4]nonan-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone

[7-(3-fluorophenyl)-8,8-dimethyl-1,7-diazaspiro[4.4]nonan-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone (PubChem CID 155999733) has the molecular formula C23H31FN4O and a molecular weight of 398.53 g/mol. Its IUPAC name is [7-(3-fluorophenyl)-8,8-dimethyl-1,7-diazaspiro[4.4]nonan-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name[7-(3-fluorophenyl)-8,8-dimethyl-1,7-diazaspiro[4.4]nonan-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone
PubChem CID155999733
Molecular FormulaC23H31FN4O
Molecular Weight398.53 g/mol
Exact Mass398.25
IUPAC Name[7-(3-fluorophenyl)-8,8-dimethyl-1,7-diazaspiro[4.4]nonan-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone
SMILESCCCc1cc(C(=O)N2CCCC23CN(c2cccc(F)c2)C(C)(C)C3)n(C)n1
InChIInChI=1S/C23H31FN4O/c1-5-8-18-14-20(26(4)25-18)21(29)27-12-7-11-23(27)15-22(2,3)28(16-23)19-10-6-9-17(24)13-19/h6,9-10,13-14H,5,7-8,11-12,15-16H2,1-4H3
InChIKeyRIXKKVWRRYHVMA-UHFFFAOYSA-N
XLogP4.18
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [7-(3-fluorophenyl)-8,8-dimethyl-1,7-diazaspiro[4.4]nonan-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone?
The IUPAC name of [7-(3-fluorophenyl)-8,8-dimethyl-1,7-diazaspiro[4.4]nonan-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone (CID 155999733) is [7-(3-fluorophenyl)-8,8-dimethyl-1,7-diazaspiro[4.4]nonan-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone.
What is the SMILES notation for [7-(3-fluorophenyl)-8,8-dimethyl-1,7-diazaspiro[4.4]nonan-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone?
The canonical SMILES for [7-(3-fluorophenyl)-8,8-dimethyl-1,7-diazaspiro[4.4]nonan-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone is CCCc1cc(C(=O)N2CCCC23CN(c2cccc(F)c2)C(C)(C)C3)n(C)n1.
What is the InChIKey of [7-(3-fluorophenyl)-8,8-dimethyl-1,7-diazaspiro[4.4]nonan-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone?
The InChIKey is RIXKKVWRRYHVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31FN4O/c1-5-8-18-14-20(26(4)25-18)21(29)27-12-7-11-23(27)15-22(2,3)28(16-23)19-10-6-9-17(24)13-19/h6,9-10,13-14H,5,7-8,11-12,15-16H2,1-4H3.
What are the key properties of [7-(3-fluorophenyl)-8,8-dimethyl-1,7-diazaspiro[4.4]nonan-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone?
[7-(3-fluorophenyl)-8,8-dimethyl-1,7-diazaspiro[4.4]nonan-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone has a molecular weight of 398.53 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(3-fluorophenyl)-8,8-dimethyl-1,7-diazaspiro[4.4]nonan-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone is sourced from PubChem (CID 155999733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).