[7-(4-methoxy-2,6-dimethylphenyl)sulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone

C30H38N6O4S — CID 59483795

IUPAC[7-(4-methoxy-2,6-dimethylphenyl)sulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone
SMILESCOc1cc(C)c(S(=O)(=O)N2CCn3cc(C(=O)N4CCC5(CC4)CCN(c4ccncc4)CC5)nc3C2)c(C)c1
InChIInChI=1S/C30H38N6O4S/c1-22-18-25(40-3)19-23(2)28(22)41(38,39)36-17-16-35-20-26(32-27(35)21-36)29(37)34-14-8-30(9-15-34)6-12-33(13-7-30)24-4-10-31-11-5-24/h4-5,10-11,18-20H,6-9,12-17,21H2,1-3H3
InChIKeyGZIURIUPGUXRST-UHFFFAOYSA-N
MW578.74 g/mol
LogP3.63
Rot. Bonds5

About [7-(4-methoxy-2,6-dimethylphenyl)sulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone

[7-(4-methoxy-2,6-dimethylphenyl)sulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone (PubChem CID 59483795) has the molecular formula C30H38N6O4S and a molecular weight of 578.74 g/mol. Its IUPAC name is [7-(4-methoxy-2,6-dimethylphenyl)sulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone.

Molecular Properties

Compound Name[7-(4-methoxy-2,6-dimethylphenyl)sulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone
PubChem CID59483795
Molecular FormulaC30H38N6O4S
Molecular Weight578.74 g/mol
Exact Mass578.27
IUPAC Name[7-(4-methoxy-2,6-dimethylphenyl)sulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone
SMILESCOc1cc(C)c(S(=O)(=O)N2CCn3cc(C(=O)N4CCC5(CC4)CCN(c4ccncc4)CC5)nc3C2)c(C)c1
InChIInChI=1S/C30H38N6O4S/c1-22-18-25(40-3)19-23(2)28(22)41(38,39)36-17-16-35-20-26(32-27(35)21-36)29(37)34-14-8-30(9-15-34)6-12-33(13-7-30)24-4-10-31-11-5-24/h4-5,10-11,18-20H,6-9,12-17,21H2,1-3H3
InChIKeyGZIURIUPGUXRST-UHFFFAOYSA-N
XLogP3.63
TPSA100.87 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500578.74
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [7-(4-methoxy-2,6-dimethylphenyl)sulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [7-(4-methoxy-2,6-dimethylphenyl)sulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone?
The IUPAC name of [7-(4-methoxy-2,6-dimethylphenyl)sulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone (CID 59483795) is [7-(4-methoxy-2,6-dimethylphenyl)sulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone.
What is the SMILES notation for [7-(4-methoxy-2,6-dimethylphenyl)sulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone?
The canonical SMILES for [7-(4-methoxy-2,6-dimethylphenyl)sulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone is COc1cc(C)c(S(=O)(=O)N2CCn3cc(C(=O)N4CCC5(CC4)CCN(c4ccncc4)CC5)nc3C2)c(C)c1.
What is the InChIKey of [7-(4-methoxy-2,6-dimethylphenyl)sulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone?
The InChIKey is GZIURIUPGUXRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N6O4S/c1-22-18-25(40-3)19-23(2)28(22)41(38,39)36-17-16-35-20-26(32-27(35)21-36)29(37)34-14-8-30(9-15-34)6-12-33(13-7-30)24-4-10-31-11-5-24/h4-5,10-11,18-20H,6-9,12-17,21H2,1-3H3.
What are the key properties of [7-(4-methoxy-2,6-dimethylphenyl)sulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone?
[7-(4-methoxy-2,6-dimethylphenyl)sulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone has a molecular weight of 578.74 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(4-methoxy-2,6-dimethylphenyl)sulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone is sourced from PubChem (CID 59483795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).