6-methyl-9-(1-methylpyrazol-4-yl)-2-(thiophene-3-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one

C17H21N5O2S — CID 118745524

IUPAC6-methyl-9-(1-methylpyrazol-4-yl)-2-(thiophene-3-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one
SMILESCN1CC(=O)N(c2cnn(C)c2)CC12CCN(C(=O)c1ccsc1)C2
InChIInChI=1S/C17H21N5O2S/c1-19-9-15(23)22(14-7-18-20(2)8-14)12-17(19)4-5-21(11-17)16(24)13-3-6-25-10-13/h3,6-8,10H,4-5,9,11-12H2,1-2H3
InChIKeyICKFEPKEEFGAHC-UHFFFAOYSA-N
MW359.46 g/mol
LogP1.04
Rot. Bonds2

About 6-methyl-9-(1-methylpyrazol-4-yl)-2-(thiophene-3-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one

6-methyl-9-(1-methylpyrazol-4-yl)-2-(thiophene-3-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one (PubChem CID 118745524) has the molecular formula C17H21N5O2S and a molecular weight of 359.46 g/mol. Its IUPAC name is 6-methyl-9-(1-methylpyrazol-4-yl)-2-(thiophene-3-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name6-methyl-9-(1-methylpyrazol-4-yl)-2-(thiophene-3-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one
PubChem CID118745524
Molecular FormulaC17H21N5O2S
Molecular Weight359.46 g/mol
Exact Mass359.14
IUPAC Name6-methyl-9-(1-methylpyrazol-4-yl)-2-(thiophene-3-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one
SMILESCN1CC(=O)N(c2cnn(C)c2)CC12CCN(C(=O)c1ccsc1)C2
InChIInChI=1S/C17H21N5O2S/c1-19-9-15(23)22(14-7-18-20(2)8-14)12-17(19)4-5-21(11-17)16(24)13-3-6-25-10-13/h3,6-8,10H,4-5,9,11-12H2,1-2H3
InChIKeyICKFEPKEEFGAHC-UHFFFAOYSA-N
XLogP1.04
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.46
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-9-(1-methylpyrazol-4-yl)-2-(thiophene-3-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one?
The IUPAC name of 6-methyl-9-(1-methylpyrazol-4-yl)-2-(thiophene-3-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one (CID 118745524) is 6-methyl-9-(1-methylpyrazol-4-yl)-2-(thiophene-3-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one.
What is the SMILES notation for 6-methyl-9-(1-methylpyrazol-4-yl)-2-(thiophene-3-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one?
The canonical SMILES for 6-methyl-9-(1-methylpyrazol-4-yl)-2-(thiophene-3-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one is CN1CC(=O)N(c2cnn(C)c2)CC12CCN(C(=O)c1ccsc1)C2.
What is the InChIKey of 6-methyl-9-(1-methylpyrazol-4-yl)-2-(thiophene-3-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one?
The InChIKey is ICKFEPKEEFGAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2S/c1-19-9-15(23)22(14-7-18-20(2)8-14)12-17(19)4-5-21(11-17)16(24)13-3-6-25-10-13/h3,6-8,10H,4-5,9,11-12H2,1-2H3.
What are the key properties of 6-methyl-9-(1-methylpyrazol-4-yl)-2-(thiophene-3-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one?
6-methyl-9-(1-methylpyrazol-4-yl)-2-(thiophene-3-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one has a molecular weight of 359.46 g/mol, XLogP of 1.04, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-9-(1-methylpyrazol-4-yl)-2-(thiophene-3-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one is sourced from PubChem (CID 118745524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).