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

C20H21F2N5O4S — CID 162359260

IUPAC3-[2-(difluoromethoxy)-4-pyridinyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide
SMILESCC(C)n1nc(-c2ccnc(OC(F)F)c2)c2ncc(C(=O)NC3(C)CS(=O)(=O)C3)cc21
InChIInChI=1S/C20H21F2N5O4S/c1-11(2)27-14-6-13(18(28)25-20(3)9-32(29,30)10-20)8-24-17(14)16(26-27)12-4-5-23-15(7-12)31-19(21)22/h4-8,11,19H,9-10H2,1-3H3,(H,25,28)
InChIKeyHABNTMWFMVUKDL-UHFFFAOYSA-N
MW465.48 g/mol
LogP2.59
Rot. Bonds6

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

3-[2-(difluoromethoxy)-4-pyridinyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide (PubChem CID 162359260) has the molecular formula C20H21F2N5O4S and a molecular weight of 465.48 g/mol. Its IUPAC name is 3-[2-(difluoromethoxy)-4-pyridinyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-[2-(difluoromethoxy)-4-pyridinyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide
PubChem CID162359260
Molecular FormulaC20H21F2N5O4S
Molecular Weight465.48 g/mol
Exact Mass465.13
IUPAC Name3-[2-(difluoromethoxy)-4-pyridinyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide
SMILESCC(C)n1nc(-c2ccnc(OC(F)F)c2)c2ncc(C(=O)NC3(C)CS(=O)(=O)C3)cc21
InChIInChI=1S/C20H21F2N5O4S/c1-11(2)27-14-6-13(18(28)25-20(3)9-32(29,30)10-20)8-24-17(14)16(26-27)12-4-5-23-15(7-12)31-19(21)22/h4-8,11,19H,9-10H2,1-3H3,(H,25,28)
InChIKeyHABNTMWFMVUKDL-UHFFFAOYSA-N
XLogP2.59
TPSA116.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.48
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(difluoromethoxy)-4-pyridinyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide?
The IUPAC name of 3-[2-(difluoromethoxy)-4-pyridinyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide (CID 162359260) is 3-[2-(difluoromethoxy)-4-pyridinyl]-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-[2-(difluoromethoxy)-4-pyridinyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide?
The canonical SMILES for 3-[2-(difluoromethoxy)-4-pyridinyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide is CC(C)n1nc(-c2ccnc(OC(F)F)c2)c2ncc(C(=O)NC3(C)CS(=O)(=O)C3)cc21.
What is the InChIKey of 3-[2-(difluoromethoxy)-4-pyridinyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide?
The InChIKey is HABNTMWFMVUKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N5O4S/c1-11(2)27-14-6-13(18(28)25-20(3)9-32(29,30)10-20)8-24-17(14)16(26-27)12-4-5-23-15(7-12)31-19(21)22/h4-8,11,19H,9-10H2,1-3H3,(H,25,28).
What are the key properties of 3-[2-(difluoromethoxy)-4-pyridinyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide?
3-[2-(difluoromethoxy)-4-pyridinyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide has a molecular weight of 465.48 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(difluoromethoxy)-4-pyridinyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide is sourced from PubChem (CID 162359260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).