1-[6-cyclopropyl-2-[[5-(methoxymethyl)-2-methylsulfonylpyrimidin-4-yl]oxymethyl]imidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione

C22H24N6O6S — CID 165131626

IUPAC1-[6-cyclopropyl-2-[[5-(methoxymethyl)-2-methylsulfonylpyrimidin-4-yl]oxymethyl]imidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione
SMILESCOCc1cnc(S(C)(=O)=O)nc1OCc1cn2cc(C3CC3)cc(N3CC(=O)N(C)C3=O)c2n1
InChIInChI=1S/C22H24N6O6S/c1-26-18(29)10-28(22(26)30)17-6-14(13-4-5-13)8-27-9-16(24-19(17)27)12-34-20-15(11-33-2)7-23-21(25-20)35(3,31)32/h6-9,13H,4-5,10-12H2,1-3H3
InChIKeyAINQPPWMGOEHEZ-UHFFFAOYSA-N
MW500.54 g/mol
LogP1.53
Rot. Bonds8

About 1-[6-cyclopropyl-2-[[5-(methoxymethyl)-2-methylsulfonylpyrimidin-4-yl]oxymethyl]imidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione

1-[6-cyclopropyl-2-[[5-(methoxymethyl)-2-methylsulfonylpyrimidin-4-yl]oxymethyl]imidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione (PubChem CID 165131626) has the molecular formula C22H24N6O6S and a molecular weight of 500.54 g/mol. Its IUPAC name is 1-[6-cyclopropyl-2-[[5-(methoxymethyl)-2-methylsulfonylpyrimidin-4-yl]oxymethyl]imidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[6-cyclopropyl-2-[[5-(methoxymethyl)-2-methylsulfonylpyrimidin-4-yl]oxymethyl]imidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione
PubChem CID165131626
Molecular FormulaC22H24N6O6S
Molecular Weight500.54 g/mol
Exact Mass500.15
IUPAC Name1-[6-cyclopropyl-2-[[5-(methoxymethyl)-2-methylsulfonylpyrimidin-4-yl]oxymethyl]imidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione
SMILESCOCc1cnc(S(C)(=O)=O)nc1OCc1cn2cc(C3CC3)cc(N3CC(=O)N(C)C3=O)c2n1
InChIInChI=1S/C22H24N6O6S/c1-26-18(29)10-28(22(26)30)17-6-14(13-4-5-13)8-27-9-16(24-19(17)27)12-34-20-15(11-33-2)7-23-21(25-20)35(3,31)32/h6-9,13H,4-5,10-12H2,1-3H3
InChIKeyAINQPPWMGOEHEZ-UHFFFAOYSA-N
XLogP1.53
TPSA136.30 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.54
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[6-cyclopropyl-2-[[5-(methoxymethyl)-2-methylsulfonylpyrimidin-4-yl]oxymethyl]imidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione?
The IUPAC name of 1-[6-cyclopropyl-2-[[5-(methoxymethyl)-2-methylsulfonylpyrimidin-4-yl]oxymethyl]imidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione (CID 165131626) is 1-[6-cyclopropyl-2-[[5-(methoxymethyl)-2-methylsulfonylpyrimidin-4-yl]oxymethyl]imidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione.
What is the SMILES notation for 1-[6-cyclopropyl-2-[[5-(methoxymethyl)-2-methylsulfonylpyrimidin-4-yl]oxymethyl]imidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione?
The canonical SMILES for 1-[6-cyclopropyl-2-[[5-(methoxymethyl)-2-methylsulfonylpyrimidin-4-yl]oxymethyl]imidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione is COCc1cnc(S(C)(=O)=O)nc1OCc1cn2cc(C3CC3)cc(N3CC(=O)N(C)C3=O)c2n1.
What is the InChIKey of 1-[6-cyclopropyl-2-[[5-(methoxymethyl)-2-methylsulfonylpyrimidin-4-yl]oxymethyl]imidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione?
The InChIKey is AINQPPWMGOEHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O6S/c1-26-18(29)10-28(22(26)30)17-6-14(13-4-5-13)8-27-9-16(24-19(17)27)12-34-20-15(11-33-2)7-23-21(25-20)35(3,31)32/h6-9,13H,4-5,10-12H2,1-3H3.
What are the key properties of 1-[6-cyclopropyl-2-[[5-(methoxymethyl)-2-methylsulfonylpyrimidin-4-yl]oxymethyl]imidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione?
1-[6-cyclopropyl-2-[[5-(methoxymethyl)-2-methylsulfonylpyrimidin-4-yl]oxymethyl]imidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione has a molecular weight of 500.54 g/mol, XLogP of 1.53, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-cyclopropyl-2-[[5-(methoxymethyl)-2-methylsulfonylpyrimidin-4-yl]oxymethyl]imidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione is sourced from PubChem (CID 165131626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).