4-[[(5R,7S)-7-methyl-1-(6-methyl-2-pyridinyl)-2,2-dioxo-2λ6-thia-1,8-diazaspiro[4.5]decan-8-yl]methyl]-2-(3-methyl-2-pyridinyl)phenol

C27H32N4O3S — CID 136510360

IUPAC4-[[(5R,7S)-7-methyl-1-(6-methyl-2-pyridinyl)-2,2-dioxo-2λ6-thia-1,8-diazaspiro[4.5]decan-8-yl]methyl]-2-(3-methyl-2-pyridinyl)phenol
SMILESCc1cccc(N2[C@@]3(CCN(Cc4ccc(O)c(-c5ncccc5C)c4)[C@@H](C)C3)CCS2(=O)=O)n1
InChIInChI=1S/C27H32N4O3S/c1-19-6-5-13-28-26(19)23-16-22(9-10-24(23)32)18-30-14-11-27(17-21(30)3)12-15-35(33,34)31(27)25-8-4-7-20(2)29-25/h4-10,13,16,21,32H,11-12,14-15,17-18H2,1-3H3/t21-,27-/m0/s1
InChIKeyFQMXMWMNWNAVKR-IDISGSTGSA-N
MW492.65 g/mol
LogP4.43
Rot. Bonds4

About 4-[[(5R,7S)-7-methyl-1-(6-methyl-2-pyridinyl)-2,2-dioxo-2λ6-thia-1,8-diazaspiro[4.5]decan-8-yl]methyl]-2-(3-methyl-2-pyridinyl)phenol

4-[[(5R,7S)-7-methyl-1-(6-methyl-2-pyridinyl)-2,2-dioxo-2λ6-thia-1,8-diazaspiro[4.5]decan-8-yl]methyl]-2-(3-methyl-2-pyridinyl)phenol (PubChem CID 136510360) has the molecular formula C27H32N4O3S and a molecular weight of 492.65 g/mol. Its IUPAC name is 4-[[(5R,7S)-7-methyl-1-(6-methyl-2-pyridinyl)-2,2-dioxo-2λ6-thia-1,8-diazaspiro[4.5]decan-8-yl]methyl]-2-(3-methyl-2-pyridinyl)phenol.

Molecular Properties

Compound Name4-[[(5R,7S)-7-methyl-1-(6-methyl-2-pyridinyl)-2,2-dioxo-2λ6-thia-1,8-diazaspiro[4.5]decan-8-yl]methyl]-2-(3-methyl-2-pyridinyl)phenol
PubChem CID136510360
Molecular FormulaC27H32N4O3S
Molecular Weight492.65 g/mol
Exact Mass492.22
IUPAC Name4-[[(5R,7S)-7-methyl-1-(6-methyl-2-pyridinyl)-2,2-dioxo-2λ6-thia-1,8-diazaspiro[4.5]decan-8-yl]methyl]-2-(3-methyl-2-pyridinyl)phenol
SMILESCc1cccc(N2[C@@]3(CCN(Cc4ccc(O)c(-c5ncccc5C)c4)[C@@H](C)C3)CCS2(=O)=O)n1
InChIInChI=1S/C27H32N4O3S/c1-19-6-5-13-28-26(19)23-16-22(9-10-24(23)32)18-30-14-11-27(17-21(30)3)12-15-35(33,34)31(27)25-8-4-7-20(2)29-25/h4-10,13,16,21,32H,11-12,14-15,17-18H2,1-3H3/t21-,27-/m0/s1
InChIKeyFQMXMWMNWNAVKR-IDISGSTGSA-N
XLogP4.43
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.65
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[[(5R,7S)-7-methyl-1-(6-methyl-2-pyridinyl)-2,2-dioxo-2λ6-thia-1,8-diazaspiro[4.5]decan-8-yl]methyl]-2-(3-methyl-2-pyridinyl)phenol with MolForge

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Related Compounds

4-[[(5R,7S)-7-methyl-1-(6-methyl-2-pyridinyl)-2,2-dioxo-2λ6-thia-1,8-diazaspiro[4.5]dec-3-en-8-yl]methyl]-2-(3-methyl-2-pyridinyl)phenol
CID 136510331
4-[[(5R,7S)-7-methyl-2,2-dioxo-1-pyridin-2-yl-2λ6-thia-1,8-diazaspiro[4.5]decan-8-yl]methyl]-2-(4-methyl-1,2-thiazol-3-yl)phenol
CID 136510365
2-(2-ethylphenyl)-4-[[(5R,7S)-1-(3-fluorophenyl)-2,2-dihydroxy-7-methyl-2λ4-thia-1,8-diazaspiro[4.5]decan-8-yl]methyl]phenol
CID 57475554
2-cyclopropyl-4-[[(5R,7S)-7-methyl-1-(6-methylpyrazin-2-yl)-2,2-dioxo-2λ6-thia-1,8-diazaspiro[4.5]dec-3-en-8-yl]methyl]phenol
CID 67451833
6-[[(5R,7S)-1-(3-fluorophenyl)-7-methyl-2,2-dioxo-2λ6-thia-1,8-diazaspiro[4.5]decan-8-yl]methyl]-4-propan-2-yloxypyridin-3-ol
CID 53483019
(5R,7S)-7-methyl-1-(6-methyl-2-pyridinyl)-8-[(3-propan-2-yloxyphenyl)methyl]-1,8-diazaspiro[4.5]dec-3-en-2-one
CID 67406675
1-(3-fluorophenyl)-7-methyl-8-[[3-(4-methyl-3-pyridinyl)phenyl]methyl]-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide
CID 67028657
(5R,7S)-8-[(3-chloro-4-hydroxyphenyl)methyl]-1-(3-fluorophenyl)-7-methyl-1,8-diazaspiro[4.5]decan-2-one;hydrochloride
CID 46208219
1-(3-fluorophenyl)-7-methyl-8-[(3-propan-2-yloxyphenyl)methyl]-3-pyrimidin-2-yl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide
CID 68999832
N-[4-[[(5R,7S)-1-(3-fluorophenyl)-3,7-dimethyl-2,2-dioxo-2λ6-thia-1,3,8-triazaspiro[4.5]decan-8-yl]methyl]phenyl]acetamide
CID 66930819
(5S,7R)-1-(3-fluorophenyl)-8-[[4-hydroxy-3-(5-methylpyrazol-1-yl)phenyl]methyl]-7-methyl-1,8-diazaspiro[4.5]dec-3-en-2-one
CID 71137229
(5R,7S)-1-(3-fluorophenyl)-7-methyl-8-[[3-(2-methylphenyl)phenyl]methyl]-1,8-diazaspiro[4.5]decan-2-one
CID 46207823

Frequently Asked Questions

What is the IUPAC name of 4-[[(5R,7S)-7-methyl-1-(6-methyl-2-pyridinyl)-2,2-dioxo-2λ6-thia-1,8-diazaspiro[4.5]decan-8-yl]methyl]-2-(3-methyl-2-pyridinyl)phenol?
The IUPAC name of 4-[[(5R,7S)-7-methyl-1-(6-methyl-2-pyridinyl)-2,2-dioxo-2λ6-thia-1,8-diazaspiro[4.5]decan-8-yl]methyl]-2-(3-methyl-2-pyridinyl)phenol (CID 136510360) is 4-[[(5R,7S)-7-methyl-1-(6-methyl-2-pyridinyl)-2,2-dioxo-2λ6-thia-1,8-diazaspiro[4.5]decan-8-yl]methyl]-2-(3-methyl-2-pyridinyl)phenol.
What is the SMILES notation for 4-[[(5R,7S)-7-methyl-1-(6-methyl-2-pyridinyl)-2,2-dioxo-2λ6-thia-1,8-diazaspiro[4.5]decan-8-yl]methyl]-2-(3-methyl-2-pyridinyl)phenol?
The canonical SMILES for 4-[[(5R,7S)-7-methyl-1-(6-methyl-2-pyridinyl)-2,2-dioxo-2λ6-thia-1,8-diazaspiro[4.5]decan-8-yl]methyl]-2-(3-methyl-2-pyridinyl)phenol is Cc1cccc(N2[C@@]3(CCN(Cc4ccc(O)c(-c5ncccc5C)c4)[C@@H](C)C3)CCS2(=O)=O)n1.
What is the InChIKey of 4-[[(5R,7S)-7-methyl-1-(6-methyl-2-pyridinyl)-2,2-dioxo-2λ6-thia-1,8-diazaspiro[4.5]decan-8-yl]methyl]-2-(3-methyl-2-pyridinyl)phenol?
The InChIKey is FQMXMWMNWNAVKR-IDISGSTGSA-N. The full InChI is InChI=1S/C27H32N4O3S/c1-19-6-5-13-28-26(19)23-16-22(9-10-24(23)32)18-30-14-11-27(17-21(30)3)12-15-35(33,34)31(27)25-8-4-7-20(2)29-25/h4-10,13,16,21,32H,11-12,14-15,17-18H2,1-3H3/t21-,27-/m0/s1.
What are the key properties of 4-[[(5R,7S)-7-methyl-1-(6-methyl-2-pyridinyl)-2,2-dioxo-2λ6-thia-1,8-diazaspiro[4.5]decan-8-yl]methyl]-2-(3-methyl-2-pyridinyl)phenol?
4-[[(5R,7S)-7-methyl-1-(6-methyl-2-pyridinyl)-2,2-dioxo-2λ6-thia-1,8-diazaspiro[4.5]decan-8-yl]methyl]-2-(3-methyl-2-pyridinyl)phenol has a molecular weight of 492.65 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5R,7S)-7-methyl-1-(6-methyl-2-pyridinyl)-2,2-dioxo-2λ6-thia-1,8-diazaspiro[4.5]decan-8-yl]methyl]-2-(3-methyl-2-pyridinyl)phenol is sourced from PubChem (CID 136510360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).