(2,5-dimethylfuran-3-yl)-[(5S)-9-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone

C22H29N3O2 — CID 97483264

IUPAC(2,5-dimethylfuran-3-yl)-[(5S)-9-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
SMILESCc1cccc(CN2CCC[C@]3(CCN(C(=O)c4cc(C)oc4C)C3)C2)n1
InChIInChI=1S/C22H29N3O2/c1-16-6-4-7-19(23-16)13-24-10-5-8-22(14-24)9-11-25(15-22)21(26)20-12-17(2)27-18(20)3/h4,6-7,12H,5,8-11,13-15H2,1-3H3/t22-/m0/s1
InChIKeyDXCBLYVVOFCGSC-QFIPXVFZSA-N
MW367.49 g/mol
LogP3.73
Rot. Bonds3

About (2,5-dimethylfuran-3-yl)-[(5S)-9-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone

(2,5-dimethylfuran-3-yl)-[(5S)-9-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone (PubChem CID 97483264) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is (2,5-dimethylfuran-3-yl)-[(5S)-9-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethylfuran-3-yl)-[(5S)-9-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
PubChem CID97483264
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name(2,5-dimethylfuran-3-yl)-[(5S)-9-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
SMILESCc1cccc(CN2CCC[C@]3(CCN(C(=O)c4cc(C)oc4C)C3)C2)n1
InChIInChI=1S/C22H29N3O2/c1-16-6-4-7-19(23-16)13-24-10-5-8-22(14-24)9-11-25(15-22)21(26)20-12-17(2)27-18(20)3/h4,6-7,12H,5,8-11,13-15H2,1-3H3/t22-/m0/s1
InChIKeyDXCBLYVVOFCGSC-QFIPXVFZSA-N
XLogP3.73
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2,5-dimethylfuran-3-yl)-[(5S)-9-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

(3-fluorothiophen-2-yl)-[8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecan-2-yl]methanone
CID 155878144
(2-ethylpyrazol-3-yl)-[8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecan-2-yl]methanone
CID 155878250
N,N-dimethyl-2-[(5R)-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]acetamide
CID 97482384
1-[(6S)-2-[(6-methyl-2-pyridinyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]ethanone
CID 97494997
(5R)-2-(2-fluoroethyl)-7-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decane
CID 97483305
1-[(5S)-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-2-phenoxyethanone
CID 95221644
2-[(6-methyl-2-pyridinyl)methyl]-9-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane
CID 97393864
3-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-ol
CID 115873962
8-(2,5-dimethylfuran-3-carbonyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70783516
[9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(2-methylpyrazol-3-yl)methanone
CID 45191159
furan-3-yl-[(5S)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 26402063
(5S)-2-(4-fluorophenyl)sulfonyl-9-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decane
CID 97483247

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylfuran-3-yl)-[(5S)-9-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone?
The IUPAC name of (2,5-dimethylfuran-3-yl)-[(5S)-9-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone (CID 97483264) is (2,5-dimethylfuran-3-yl)-[(5S)-9-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone.
What is the SMILES notation for (2,5-dimethylfuran-3-yl)-[(5S)-9-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone?
The canonical SMILES for (2,5-dimethylfuran-3-yl)-[(5S)-9-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone is Cc1cccc(CN2CCC[C@]3(CCN(C(=O)c4cc(C)oc4C)C3)C2)n1.
What is the InChIKey of (2,5-dimethylfuran-3-yl)-[(5S)-9-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone?
The InChIKey is DXCBLYVVOFCGSC-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-16-6-4-7-19(23-16)13-24-10-5-8-22(14-24)9-11-25(15-22)21(26)20-12-17(2)27-18(20)3/h4,6-7,12H,5,8-11,13-15H2,1-3H3/t22-/m0/s1.
What are the key properties of (2,5-dimethylfuran-3-yl)-[(5S)-9-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone?
(2,5-dimethylfuran-3-yl)-[(5S)-9-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone has a molecular weight of 367.49 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylfuran-3-yl)-[(5S)-9-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone is sourced from PubChem (CID 97483264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).