3-(3-cyclopropyloxyphenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide

C23H26N4O4S — CID 162359331

IUPAC3-(3-cyclopropyloxyphenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide
SMILESCC(C)n1nc(-c2cccc(OC3CC3)c2)c2ncc(C(=O)NC3(C)CS(=O)(=O)C3)cc21
InChIInChI=1S/C23H26N4O4S/c1-14(2)27-19-10-16(22(28)25-23(3)12-32(29,30)13-23)11-24-21(19)20(26-27)15-5-4-6-18(9-15)31-17-7-8-17/h4-6,9-11,14,17H,7-8,12-13H2,1-3H3,(H,25,28)
InChIKeyUCLHZPVYUTZHGB-UHFFFAOYSA-N
MW454.55 g/mol
LogP3.14
Rot. Bonds6

About 3-(3-cyclopropyloxyphenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide

3-(3-cyclopropyloxyphenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide (PubChem CID 162359331) has the molecular formula C23H26N4O4S and a molecular weight of 454.55 g/mol. Its IUPAC name is 3-(3-cyclopropyloxyphenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-(3-cyclopropyloxyphenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide
PubChem CID162359331
Molecular FormulaC23H26N4O4S
Molecular Weight454.55 g/mol
Exact Mass454.17
IUPAC Name3-(3-cyclopropyloxyphenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide
SMILESCC(C)n1nc(-c2cccc(OC3CC3)c2)c2ncc(C(=O)NC3(C)CS(=O)(=O)C3)cc21
InChIInChI=1S/C23H26N4O4S/c1-14(2)27-19-10-16(22(28)25-23(3)12-32(29,30)13-23)11-24-21(19)20(26-27)15-5-4-6-18(9-15)31-17-7-8-17/h4-6,9-11,14,17H,7-8,12-13H2,1-3H3,(H,25,28)
InChIKeyUCLHZPVYUTZHGB-UHFFFAOYSA-N
XLogP3.14
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopropyloxyphenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide?
The IUPAC name of 3-(3-cyclopropyloxyphenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide (CID 162359331) is 3-(3-cyclopropyloxyphenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide.
What is the SMILES notation for 3-(3-cyclopropyloxyphenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide?
The canonical SMILES for 3-(3-cyclopropyloxyphenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide is CC(C)n1nc(-c2cccc(OC3CC3)c2)c2ncc(C(=O)NC3(C)CS(=O)(=O)C3)cc21.
What is the InChIKey of 3-(3-cyclopropyloxyphenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide?
The InChIKey is UCLHZPVYUTZHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4S/c1-14(2)27-19-10-16(22(28)25-23(3)12-32(29,30)13-23)11-24-21(19)20(26-27)15-5-4-6-18(9-15)31-17-7-8-17/h4-6,9-11,14,17H,7-8,12-13H2,1-3H3,(H,25,28).
What are the key properties of 3-(3-cyclopropyloxyphenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide?
3-(3-cyclopropyloxyphenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide has a molecular weight of 454.55 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopropyloxyphenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide is sourced from PubChem (CID 162359331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).