4-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-3-(3-fluorophenyl)morpholine

C18H19FN4O3S — CID 126822840

IUPAC4-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-3-(3-fluorophenyl)morpholine
SMILESCc1nn(C)c2ncc(S(=O)(=O)N3CCOCC3c3cccc(F)c3)cc12
InChIInChI=1S/C18H19FN4O3S/c1-12-16-9-15(10-20-18(16)22(2)21-12)27(24,25)23-6-7-26-11-17(23)13-4-3-5-14(19)8-13/h3-5,8-10,17H,6-7,11H2,1-2H3
InChIKeyZVKBXWGFJNVERH-UHFFFAOYSA-N
MW390.44 g/mol
LogP2.18
Rot. Bonds3

About 4-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-3-(3-fluorophenyl)morpholine

4-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-3-(3-fluorophenyl)morpholine (PubChem CID 126822840) has the molecular formula C18H19FN4O3S and a molecular weight of 390.44 g/mol. Its IUPAC name is 4-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-3-(3-fluorophenyl)morpholine.

Molecular Properties

Compound Name4-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-3-(3-fluorophenyl)morpholine
PubChem CID126822840
Molecular FormulaC18H19FN4O3S
Molecular Weight390.44 g/mol
Exact Mass390.12
IUPAC Name4-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-3-(3-fluorophenyl)morpholine
SMILESCc1nn(C)c2ncc(S(=O)(=O)N3CCOCC3c3cccc(F)c3)cc12
InChIInChI=1S/C18H19FN4O3S/c1-12-16-9-15(10-20-18(16)22(2)21-12)27(24,25)23-6-7-26-11-17(23)13-4-3-5-14(19)8-13/h3-5,8-10,17H,6-7,11H2,1-2H3
InChIKeyZVKBXWGFJNVERH-UHFFFAOYSA-N
XLogP2.18
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-3-(3-fluorophenyl)morpholine?
The IUPAC name of 4-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-3-(3-fluorophenyl)morpholine (CID 126822840) is 4-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-3-(3-fluorophenyl)morpholine.
What is the SMILES notation for 4-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-3-(3-fluorophenyl)morpholine?
The canonical SMILES for 4-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-3-(3-fluorophenyl)morpholine is Cc1nn(C)c2ncc(S(=O)(=O)N3CCOCC3c3cccc(F)c3)cc12.
What is the InChIKey of 4-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-3-(3-fluorophenyl)morpholine?
The InChIKey is ZVKBXWGFJNVERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O3S/c1-12-16-9-15(10-20-18(16)22(2)21-12)27(24,25)23-6-7-26-11-17(23)13-4-3-5-14(19)8-13/h3-5,8-10,17H,6-7,11H2,1-2H3.
What are the key properties of 4-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-3-(3-fluorophenyl)morpholine?
4-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-3-(3-fluorophenyl)morpholine has a molecular weight of 390.44 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-3-(3-fluorophenyl)morpholine is sourced from PubChem (CID 126822840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).