N-(furan-2-ylmethyl)-4-[7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,7-diazaspiro[2.5]octane-4-carbonyl]benzenesulfonamide

C24H24N6O4S — CID 66888562

IUPACN-(furan-2-ylmethyl)-4-[7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,7-diazaspiro[2.5]octane-4-carbonyl]benzenesulfonamide
SMILESO=C(c1ccc(S(=O)(=O)NCc2ccco2)cc1)N1CCN(c2ncnc3[nH]ccc23)CC12CC2
InChIInChI=1S/C24H24N6O4S/c31-23(17-3-5-19(6-4-17)35(32,33)28-14-18-2-1-13-34-18)30-12-11-29(15-24(30)8-9-24)22-20-7-10-25-21(20)26-16-27-22/h1-7,10,13,16,28H,8-9,11-12,14-15H2,(H,25,26,27)
InChIKeyUNJSKTQKKPFDNL-UHFFFAOYSA-N
MW492.56 g/mol
LogP2.52
Rot. Bonds6

About N-(furan-2-ylmethyl)-4-[7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,7-diazaspiro[2.5]octane-4-carbonyl]benzenesulfonamide

N-(furan-2-ylmethyl)-4-[7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,7-diazaspiro[2.5]octane-4-carbonyl]benzenesulfonamide (PubChem CID 66888562) has the molecular formula C24H24N6O4S and a molecular weight of 492.56 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-[7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,7-diazaspiro[2.5]octane-4-carbonyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-[7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,7-diazaspiro[2.5]octane-4-carbonyl]benzenesulfonamide
PubChem CID66888562
Molecular FormulaC24H24N6O4S
Molecular Weight492.56 g/mol
Exact Mass492.16
IUPAC NameN-(furan-2-ylmethyl)-4-[7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,7-diazaspiro[2.5]octane-4-carbonyl]benzenesulfonamide
SMILESO=C(c1ccc(S(=O)(=O)NCc2ccco2)cc1)N1CCN(c2ncnc3[nH]ccc23)CC12CC2
InChIInChI=1S/C24H24N6O4S/c31-23(17-3-5-19(6-4-17)35(32,33)28-14-18-2-1-13-34-18)30-12-11-29(15-24(30)8-9-24)22-20-7-10-25-21(20)26-16-27-22/h1-7,10,13,16,28H,8-9,11-12,14-15H2,(H,25,26,27)
InChIKeyUNJSKTQKKPFDNL-UHFFFAOYSA-N
XLogP2.52
TPSA124.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.56
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(furan-2-ylmethyl)-4-[7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,7-diazaspiro[2.5]octane-4-carbonyl]benzenesulfonamide with MolForge

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Related Compounds

[4-(3-aminopropylsulfonyl)phenyl]-[7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,7-diazaspiro[2.5]octan-4-yl]methanone
CID 70808325
[7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,7-diazaspiro[2.5]octan-4-yl]-(1H-pyrrol-2-yl)methanone
CID 141290904
(2,3-dihydroxyphenyl)-[7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,7-diazaspiro[2.5]octan-4-yl]methanone
CID 123344595
1H-indol-2-yl-[7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,7-diazaspiro[2.5]octan-4-yl]methanone
CID 66898326
1-methyl-5-[7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,7-diazaspiro[2.5]octane-4-carbonyl]pyrrole-3-sulfonamide
CID 66899190
N-(2-methoxyethyl)-4-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.6]nonane-8-carbonyl]benzenesulfonamide
CID 66653949
N-(oxolan-2-ylmethyl)-4-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.6]nonane-8-carbonyl]benzenesulfonamide
CID 56644356
1-[7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,7-diazaspiro[2.5]octane-4-carbonyl]cyclopropane-1-carbonitrile
CID 57477363
4-(furan-2-ylmethylsulfamoyl)-N-(5-piperidin-1-yl-2-pyridinyl)benzamide
CID 78878198
4-[4-(furan-2-ylmethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid
CID 119216622
2-methoxy-1-[9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decan-1-yl]ethanone
CID 58293327
4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-(furan-2-ylmethyl)benzenesulfonamide
CID 2531360

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-[7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,7-diazaspiro[2.5]octane-4-carbonyl]benzenesulfonamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-[7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,7-diazaspiro[2.5]octane-4-carbonyl]benzenesulfonamide (CID 66888562) is N-(furan-2-ylmethyl)-4-[7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,7-diazaspiro[2.5]octane-4-carbonyl]benzenesulfonamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-[7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,7-diazaspiro[2.5]octane-4-carbonyl]benzenesulfonamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-[7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,7-diazaspiro[2.5]octane-4-carbonyl]benzenesulfonamide is O=C(c1ccc(S(=O)(=O)NCc2ccco2)cc1)N1CCN(c2ncnc3[nH]ccc23)CC12CC2.
What is the InChIKey of N-(furan-2-ylmethyl)-4-[7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,7-diazaspiro[2.5]octane-4-carbonyl]benzenesulfonamide?
The InChIKey is UNJSKTQKKPFDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O4S/c31-23(17-3-5-19(6-4-17)35(32,33)28-14-18-2-1-13-34-18)30-12-11-29(15-24(30)8-9-24)22-20-7-10-25-21(20)26-16-27-22/h1-7,10,13,16,28H,8-9,11-12,14-15H2,(H,25,26,27).
What are the key properties of N-(furan-2-ylmethyl)-4-[7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,7-diazaspiro[2.5]octane-4-carbonyl]benzenesulfonamide?
N-(furan-2-ylmethyl)-4-[7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,7-diazaspiro[2.5]octane-4-carbonyl]benzenesulfonamide has a molecular weight of 492.56 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-[7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,7-diazaspiro[2.5]octane-4-carbonyl]benzenesulfonamide is sourced from PubChem (CID 66888562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).