(5R,7S)-8-[[4-(cyclobutylmethyl)-1,3-thiazol-5-yl]methyl]-7-methyl-1-(6-methyl-2-pyridinyl)-1,8-diazaspiro[4.5]dec-3-en-2-one

C24H30N4OS — CID 67406836

IUPAC(5R,7S)-8-[[4-(cyclobutylmethyl)-1,3-thiazol-5-yl]methyl]-7-methyl-1-(6-methyl-2-pyridinyl)-1,8-diazaspiro[4.5]dec-3-en-2-one
SMILESCc1cccc(N2C(=O)C=C[C@]23CCN(Cc2scnc2CC2CCC2)[C@@H](C)C3)n1
InChIInChI=1S/C24H30N4OS/c1-17-5-3-8-22(26-17)28-23(29)9-10-24(28)11-12-27(18(2)14-24)15-21-20(25-16-30-21)13-19-6-4-7-19/h3,5,8-10,16,18-19H,4,6-7,11-15H2,1-2H3/t18-,24+/m0/s1
InChIKeyFRLWENBUDDESEY-MHECFPHRSA-N
MW422.60 g/mol
LogP4.52
Rot. Bonds5

About (5R,7S)-8-[[4-(cyclobutylmethyl)-1,3-thiazol-5-yl]methyl]-7-methyl-1-(6-methyl-2-pyridinyl)-1,8-diazaspiro[4.5]dec-3-en-2-one

(5R,7S)-8-[[4-(cyclobutylmethyl)-1,3-thiazol-5-yl]methyl]-7-methyl-1-(6-methyl-2-pyridinyl)-1,8-diazaspiro[4.5]dec-3-en-2-one (PubChem CID 67406836) has the molecular formula C24H30N4OS and a molecular weight of 422.60 g/mol. Its IUPAC name is (5R,7S)-8-[[4-(cyclobutylmethyl)-1,3-thiazol-5-yl]methyl]-7-methyl-1-(6-methyl-2-pyridinyl)-1,8-diazaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name(5R,7S)-8-[[4-(cyclobutylmethyl)-1,3-thiazol-5-yl]methyl]-7-methyl-1-(6-methyl-2-pyridinyl)-1,8-diazaspiro[4.5]dec-3-en-2-one
PubChem CID67406836
Molecular FormulaC24H30N4OS
Molecular Weight422.60 g/mol
Exact Mass422.21
IUPAC Name(5R,7S)-8-[[4-(cyclobutylmethyl)-1,3-thiazol-5-yl]methyl]-7-methyl-1-(6-methyl-2-pyridinyl)-1,8-diazaspiro[4.5]dec-3-en-2-one
SMILESCc1cccc(N2C(=O)C=C[C@]23CCN(Cc2scnc2CC2CCC2)[C@@H](C)C3)n1
InChIInChI=1S/C24H30N4OS/c1-17-5-3-8-22(26-17)28-23(29)9-10-24(28)11-12-27(18(2)14-24)15-21-20(25-16-30-21)13-19-6-4-7-19/h3,5,8-10,16,18-19H,4,6-7,11-15H2,1-2H3/t18-,24+/m0/s1
InChIKeyFRLWENBUDDESEY-MHECFPHRSA-N
XLogP4.52
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.60
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5R,7S)-8-[[4-(cyclobutylmethyl)-1,3-thiazol-5-yl]methyl]-7-methyl-1-(6-methyl-2-pyridinyl)-1,8-diazaspiro[4.5]dec-3-en-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5R,7S)-8-[[4-(cyclobutylmethyl)-1,3-thiazol-5-yl]methyl]-7-methyl-1-(6-methyl-2-pyridinyl)-1,8-diazaspiro[4.5]dec-3-en-2-one?
The IUPAC name of (5R,7S)-8-[[4-(cyclobutylmethyl)-1,3-thiazol-5-yl]methyl]-7-methyl-1-(6-methyl-2-pyridinyl)-1,8-diazaspiro[4.5]dec-3-en-2-one (CID 67406836) is (5R,7S)-8-[[4-(cyclobutylmethyl)-1,3-thiazol-5-yl]methyl]-7-methyl-1-(6-methyl-2-pyridinyl)-1,8-diazaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for (5R,7S)-8-[[4-(cyclobutylmethyl)-1,3-thiazol-5-yl]methyl]-7-methyl-1-(6-methyl-2-pyridinyl)-1,8-diazaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for (5R,7S)-8-[[4-(cyclobutylmethyl)-1,3-thiazol-5-yl]methyl]-7-methyl-1-(6-methyl-2-pyridinyl)-1,8-diazaspiro[4.5]dec-3-en-2-one is Cc1cccc(N2C(=O)C=C[C@]23CCN(Cc2scnc2CC2CCC2)[C@@H](C)C3)n1.
What is the InChIKey of (5R,7S)-8-[[4-(cyclobutylmethyl)-1,3-thiazol-5-yl]methyl]-7-methyl-1-(6-methyl-2-pyridinyl)-1,8-diazaspiro[4.5]dec-3-en-2-one?
The InChIKey is FRLWENBUDDESEY-MHECFPHRSA-N. The full InChI is InChI=1S/C24H30N4OS/c1-17-5-3-8-22(26-17)28-23(29)9-10-24(28)11-12-27(18(2)14-24)15-21-20(25-16-30-21)13-19-6-4-7-19/h3,5,8-10,16,18-19H,4,6-7,11-15H2,1-2H3/t18-,24+/m0/s1.
What are the key properties of (5R,7S)-8-[[4-(cyclobutylmethyl)-1,3-thiazol-5-yl]methyl]-7-methyl-1-(6-methyl-2-pyridinyl)-1,8-diazaspiro[4.5]dec-3-en-2-one?
(5R,7S)-8-[[4-(cyclobutylmethyl)-1,3-thiazol-5-yl]methyl]-7-methyl-1-(6-methyl-2-pyridinyl)-1,8-diazaspiro[4.5]dec-3-en-2-one has a molecular weight of 422.60 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7S)-8-[[4-(cyclobutylmethyl)-1,3-thiazol-5-yl]methyl]-7-methyl-1-(6-methyl-2-pyridinyl)-1,8-diazaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 67406836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).