1,3-dimethyl-5-[3-[(2-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylpyrazolo[5,4-b]pyridine

C18H21N5O3S — CID 128999371

IUPAC1,3-dimethyl-5-[3-[(2-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylpyrazolo[5,4-b]pyridine
SMILESCc1ncccc1OC1CCN(S(=O)(=O)c2cnc3c(c2)c(C)nn3C)C1
InChIInChI=1S/C18H21N5O3S/c1-12-16-9-15(10-20-18(16)22(3)21-12)27(24,25)23-8-6-14(11-23)26-17-5-4-7-19-13(17)2/h4-5,7,9-10,14H,6,8,11H2,1-3H3
InChIKeyWWFBSSKNMADGHU-UHFFFAOYSA-N
MW387.47 g/mol
LogP1.82
Rot. Bonds4

About 1,3-dimethyl-5-[3-[(2-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylpyrazolo[5,4-b]pyridine

1,3-dimethyl-5-[3-[(2-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylpyrazolo[5,4-b]pyridine (PubChem CID 128999371) has the molecular formula C18H21N5O3S and a molecular weight of 387.47 g/mol. Its IUPAC name is 1,3-dimethyl-5-[3-[(2-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylpyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name1,3-dimethyl-5-[3-[(2-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylpyrazolo[5,4-b]pyridine
PubChem CID128999371
Molecular FormulaC18H21N5O3S
Molecular Weight387.47 g/mol
Exact Mass387.14
IUPAC Name1,3-dimethyl-5-[3-[(2-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylpyrazolo[5,4-b]pyridine
SMILESCc1ncccc1OC1CCN(S(=O)(=O)c2cnc3c(c2)c(C)nn3C)C1
InChIInChI=1S/C18H21N5O3S/c1-12-16-9-15(10-20-18(16)22(3)21-12)27(24,25)23-8-6-14(11-23)26-17-5-4-7-19-13(17)2/h4-5,7,9-10,14H,6,8,11H2,1-3H3
InChIKeyWWFBSSKNMADGHU-UHFFFAOYSA-N
XLogP1.82
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[3-[(2-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylpyrazolo[5,4-b]pyridine?
The IUPAC name of 1,3-dimethyl-5-[3-[(2-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylpyrazolo[5,4-b]pyridine (CID 128999371) is 1,3-dimethyl-5-[3-[(2-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylpyrazolo[5,4-b]pyridine.
What is the SMILES notation for 1,3-dimethyl-5-[3-[(2-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylpyrazolo[5,4-b]pyridine?
The canonical SMILES for 1,3-dimethyl-5-[3-[(2-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylpyrazolo[5,4-b]pyridine is Cc1ncccc1OC1CCN(S(=O)(=O)c2cnc3c(c2)c(C)nn3C)C1.
What is the InChIKey of 1,3-dimethyl-5-[3-[(2-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylpyrazolo[5,4-b]pyridine?
The InChIKey is WWFBSSKNMADGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3S/c1-12-16-9-15(10-20-18(16)22(3)21-12)27(24,25)23-8-6-14(11-23)26-17-5-4-7-19-13(17)2/h4-5,7,9-10,14H,6,8,11H2,1-3H3.
What are the key properties of 1,3-dimethyl-5-[3-[(2-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylpyrazolo[5,4-b]pyridine?
1,3-dimethyl-5-[3-[(2-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylpyrazolo[5,4-b]pyridine has a molecular weight of 387.47 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[3-[(2-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylpyrazolo[5,4-b]pyridine is sourced from PubChem (CID 128999371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).