3-[4-(1,5-dimethylpyrazol-4-yl)sulfonylmorpholin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide

C18H21N5O4S2 — CID 110130536

IUPAC3-[4-(1,5-dimethylpyrazol-4-yl)sulfonylmorpholin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCNC(=O)c1sc2ncccc2c1C1CN(S(=O)(=O)c2cnn(C)c2C)CCO1
InChIInChI=1S/C18H21N5O4S2/c1-11-14(9-21-22(11)3)29(25,26)23-7-8-27-13(10-23)15-12-5-4-6-20-18(12)28-16(15)17(24)19-2/h4-6,9,13H,7-8,10H2,1-3H3,(H,19,24)
InChIKeyGHHUJQMBYGYPKD-UHFFFAOYSA-N
MW435.53 g/mol
LogP1.46
Rot. Bonds4

About 3-[4-(1,5-dimethylpyrazol-4-yl)sulfonylmorpholin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide

3-[4-(1,5-dimethylpyrazol-4-yl)sulfonylmorpholin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 110130536) has the molecular formula C18H21N5O4S2 and a molecular weight of 435.53 g/mol. Its IUPAC name is 3-[4-(1,5-dimethylpyrazol-4-yl)sulfonylmorpholin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[4-(1,5-dimethylpyrazol-4-yl)sulfonylmorpholin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID110130536
Molecular FormulaC18H21N5O4S2
Molecular Weight435.53 g/mol
Exact Mass435.10
IUPAC Name3-[4-(1,5-dimethylpyrazol-4-yl)sulfonylmorpholin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCNC(=O)c1sc2ncccc2c1C1CN(S(=O)(=O)c2cnn(C)c2C)CCO1
InChIInChI=1S/C18H21N5O4S2/c1-11-14(9-21-22(11)3)29(25,26)23-7-8-27-13(10-23)15-12-5-4-6-20-18(12)28-16(15)17(24)19-2/h4-6,9,13H,7-8,10H2,1-3H3,(H,19,24)
InChIKeyGHHUJQMBYGYPKD-UHFFFAOYSA-N
XLogP1.46
TPSA106.42 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(1,5-dimethylpyrazol-4-yl)sulfonylmorpholin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-[4-(1,5-dimethylpyrazol-4-yl)sulfonylmorpholin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide (CID 110130536) is 3-[4-(1,5-dimethylpyrazol-4-yl)sulfonylmorpholin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-[4-(1,5-dimethylpyrazol-4-yl)sulfonylmorpholin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-[4-(1,5-dimethylpyrazol-4-yl)sulfonylmorpholin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide is CNC(=O)c1sc2ncccc2c1C1CN(S(=O)(=O)c2cnn(C)c2C)CCO1.
What is the InChIKey of 3-[4-(1,5-dimethylpyrazol-4-yl)sulfonylmorpholin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is GHHUJQMBYGYPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O4S2/c1-11-14(9-21-22(11)3)29(25,26)23-7-8-27-13(10-23)15-12-5-4-6-20-18(12)28-16(15)17(24)19-2/h4-6,9,13H,7-8,10H2,1-3H3,(H,19,24).
What are the key properties of 3-[4-(1,5-dimethylpyrazol-4-yl)sulfonylmorpholin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide?
3-[4-(1,5-dimethylpyrazol-4-yl)sulfonylmorpholin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 435.53 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1,5-dimethylpyrazol-4-yl)sulfonylmorpholin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 110130536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).