formic acid;4-[2-[2-(4-methylpyrazolo[1,5-a]pyridin-3-yl)imidazol-1-yl]ethylsulfonyl]morpholine

C18H23N5O5S — CID 155939523

IUPACformic acid;4-[2-[2-(4-methylpyrazolo[1,5-a]pyridin-3-yl)imidazol-1-yl]ethylsulfonyl]morpholine
SMILESCc1cccn2ncc(-c3nccn3CCS(=O)(=O)N3CCOCC3)c12.O=CO
InChIInChI=1S/C17H21N5O3S.CH2O2/c1-14-3-2-5-22-16(14)15(13-19-22)17-18-4-6-20(17)9-12-26(23,24)21-7-10-25-11-8-21;2-1-3/h2-6,13H,7-12H2,1H3;1H,(H,2,3)
InChIKeyCGYWWRWVWFFOLC-UHFFFAOYSA-N
MW421.48 g/mol
LogP0.87
Rot. Bonds5

About formic acid;4-[2-[2-(4-methylpyrazolo[1,5-a]pyridin-3-yl)imidazol-1-yl]ethylsulfonyl]morpholine

formic acid;4-[2-[2-(4-methylpyrazolo[1,5-a]pyridin-3-yl)imidazol-1-yl]ethylsulfonyl]morpholine (PubChem CID 155939523) has the molecular formula C18H23N5O5S and a molecular weight of 421.48 g/mol. Its IUPAC name is formic acid;4-[2-[2-(4-methylpyrazolo[1,5-a]pyridin-3-yl)imidazol-1-yl]ethylsulfonyl]morpholine.

Molecular Properties

Compound Nameformic acid;4-[2-[2-(4-methylpyrazolo[1,5-a]pyridin-3-yl)imidazol-1-yl]ethylsulfonyl]morpholine
PubChem CID155939523
Molecular FormulaC18H23N5O5S
Molecular Weight421.48 g/mol
Exact Mass421.14
IUPAC Nameformic acid;4-[2-[2-(4-methylpyrazolo[1,5-a]pyridin-3-yl)imidazol-1-yl]ethylsulfonyl]morpholine
SMILESCc1cccn2ncc(-c3nccn3CCS(=O)(=O)N3CCOCC3)c12.O=CO
InChIInChI=1S/C17H21N5O3S.CH2O2/c1-14-3-2-5-22-16(14)15(13-19-22)17-18-4-6-20(17)9-12-26(23,24)21-7-10-25-11-8-21;2-1-3/h2-6,13H,7-12H2,1H3;1H,(H,2,3)
InChIKeyCGYWWRWVWFFOLC-UHFFFAOYSA-N
XLogP0.87
TPSA119.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of formic acid;4-[2-[2-(4-methylpyrazolo[1,5-a]pyridin-3-yl)imidazol-1-yl]ethylsulfonyl]morpholine?
The IUPAC name of formic acid;4-[2-[2-(4-methylpyrazolo[1,5-a]pyridin-3-yl)imidazol-1-yl]ethylsulfonyl]morpholine (CID 155939523) is formic acid;4-[2-[2-(4-methylpyrazolo[1,5-a]pyridin-3-yl)imidazol-1-yl]ethylsulfonyl]morpholine.
What is the SMILES notation for formic acid;4-[2-[2-(4-methylpyrazolo[1,5-a]pyridin-3-yl)imidazol-1-yl]ethylsulfonyl]morpholine?
The canonical SMILES for formic acid;4-[2-[2-(4-methylpyrazolo[1,5-a]pyridin-3-yl)imidazol-1-yl]ethylsulfonyl]morpholine is Cc1cccn2ncc(-c3nccn3CCS(=O)(=O)N3CCOCC3)c12.O=CO.
What is the InChIKey of formic acid;4-[2-[2-(4-methylpyrazolo[1,5-a]pyridin-3-yl)imidazol-1-yl]ethylsulfonyl]morpholine?
The InChIKey is CGYWWRWVWFFOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3S.CH2O2/c1-14-3-2-5-22-16(14)15(13-19-22)17-18-4-6-20(17)9-12-26(23,24)21-7-10-25-11-8-21;2-1-3/h2-6,13H,7-12H2,1H3;1H,(H,2,3).
What are the key properties of formic acid;4-[2-[2-(4-methylpyrazolo[1,5-a]pyridin-3-yl)imidazol-1-yl]ethylsulfonyl]morpholine?
formic acid;4-[2-[2-(4-methylpyrazolo[1,5-a]pyridin-3-yl)imidazol-1-yl]ethylsulfonyl]morpholine has a molecular weight of 421.48 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;4-[2-[2-(4-methylpyrazolo[1,5-a]pyridin-3-yl)imidazol-1-yl]ethylsulfonyl]morpholine is sourced from PubChem (CID 155939523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).