3-[5-(difluoromethoxy)-2-methyl-3-pyridinyl]-N-(3-methyl-1-oxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxamide

C21H23F2N5O3S — CID 162359222

IUPAC3-[5-(difluoromethoxy)-2-methyl-3-pyridinyl]-N-(3-methyl-1-oxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxamide
SMILESCc1ncc(OC(F)F)cc1-c1nn(C(C)C)c2cc(C(=O)NC3(C)CS(=O)C3)ncc12
InChIInChI=1S/C21H23F2N5O3S/c1-11(2)28-17-6-16(19(29)26-21(4)9-32(30)10-21)25-8-15(17)18(27-28)14-5-13(31-20(22)23)7-24-12(14)3/h5-8,11,20H,9-10H2,1-4H3,(H,26,29)
InChIKeyREUJQWQLICMLDA-UHFFFAOYSA-N
MW463.51 g/mol
LogP3.23
Rot. Bonds6

About 3-[5-(difluoromethoxy)-2-methyl-3-pyridinyl]-N-(3-methyl-1-oxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxamide

3-[5-(difluoromethoxy)-2-methyl-3-pyridinyl]-N-(3-methyl-1-oxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxamide (PubChem CID 162359222) has the molecular formula C21H23F2N5O3S and a molecular weight of 463.51 g/mol. Its IUPAC name is 3-[5-(difluoromethoxy)-2-methyl-3-pyridinyl]-N-(3-methyl-1-oxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-[5-(difluoromethoxy)-2-methyl-3-pyridinyl]-N-(3-methyl-1-oxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxamide
PubChem CID162359222
Molecular FormulaC21H23F2N5O3S
Molecular Weight463.51 g/mol
Exact Mass463.15
IUPAC Name3-[5-(difluoromethoxy)-2-methyl-3-pyridinyl]-N-(3-methyl-1-oxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxamide
SMILESCc1ncc(OC(F)F)cc1-c1nn(C(C)C)c2cc(C(=O)NC3(C)CS(=O)C3)ncc12
InChIInChI=1S/C21H23F2N5O3S/c1-11(2)28-17-6-16(19(29)26-21(4)9-32(30)10-21)25-8-15(17)18(27-28)14-5-13(31-20(22)23)7-24-12(14)3/h5-8,11,20H,9-10H2,1-4H3,(H,26,29)
InChIKeyREUJQWQLICMLDA-UHFFFAOYSA-N
XLogP3.23
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.51
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[5-(difluoromethoxy)-2-fluorophenyl]-N-(3-methylthietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide
CID 162358879
3-[3-(difluoromethoxy)phenyl]-1-(3-hydroxycyclobutyl)-N-(3-methyl-1-oxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide
CID 162359125
3-[2-(difluoromethoxy)-4-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carbaldehyde;N,3-dimethyl-1-oxothietan-3-amine
CID 162358961
1-[3-(difluoromethoxy)phenyl]-3-methyl-N-(3-methyl-1-oxothiolan-3-yl)indazole-5-carboxamide
CID 162359601
3-[3-(difluoromethoxy)phenyl]-N-(4-methyl-1,1-dioxothian-4-yl)-2-oxo-1-propan-2-ylimidazo[4,5-c]pyridine-6-carboxamide
CID 163200596
3-[5-(difluoromethoxy)-3-pyridinyl]-N-(3-methyl-1,1-dioxothiolan-3-yl)-1-(oxan-4-yl)pyrazolo[4,3-c]pyridine-6-carboxamide
CID 162359060
1-[3-[5-(difluoromethoxy)-2-fluorophenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone
CID 163949364
4-[[5-(difluoromethoxy)-3-pyridinyl]amino]-N-(3-methyl-1-oxothietan-3-yl)-3-(2-methylpropanimidoyl)benzamide
CID 162359446
1-butan-2-yl-3-[3-(difluoromethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide
CID 162359399
3-[5-(difluoromethoxy)-2-fluorophenyl]-N-(1-methyl-3-sulfanylidenecyclobutyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole-6-carboxamide
CID 175471891
3-[3-(difluoromethoxy)phenyl]-N-[(3R)-3-(hydroxymethyl)oxolan-3-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide
CID 162359325
(6R)-3-[5-(difluoromethoxy)-2-fluorophenyl]-N-(4-methyl-1,1-dioxothian-4-yl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole-6-carboxamide
CID 164550924

Frequently Asked Questions

What is the IUPAC name of 3-[5-(difluoromethoxy)-2-methyl-3-pyridinyl]-N-(3-methyl-1-oxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxamide?
The IUPAC name of 3-[5-(difluoromethoxy)-2-methyl-3-pyridinyl]-N-(3-methyl-1-oxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxamide (CID 162359222) is 3-[5-(difluoromethoxy)-2-methyl-3-pyridinyl]-N-(3-methyl-1-oxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxamide.
What is the SMILES notation for 3-[5-(difluoromethoxy)-2-methyl-3-pyridinyl]-N-(3-methyl-1-oxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxamide?
The canonical SMILES for 3-[5-(difluoromethoxy)-2-methyl-3-pyridinyl]-N-(3-methyl-1-oxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxamide is Cc1ncc(OC(F)F)cc1-c1nn(C(C)C)c2cc(C(=O)NC3(C)CS(=O)C3)ncc12.
What is the InChIKey of 3-[5-(difluoromethoxy)-2-methyl-3-pyridinyl]-N-(3-methyl-1-oxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxamide?
The InChIKey is REUJQWQLICMLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N5O3S/c1-11(2)28-17-6-16(19(29)26-21(4)9-32(30)10-21)25-8-15(17)18(27-28)14-5-13(31-20(22)23)7-24-12(14)3/h5-8,11,20H,9-10H2,1-4H3,(H,26,29).
What are the key properties of 3-[5-(difluoromethoxy)-2-methyl-3-pyridinyl]-N-(3-methyl-1-oxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxamide?
3-[5-(difluoromethoxy)-2-methyl-3-pyridinyl]-N-(3-methyl-1-oxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxamide has a molecular weight of 463.51 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(difluoromethoxy)-2-methyl-3-pyridinyl]-N-(3-methyl-1-oxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxamide is sourced from PubChem (CID 162359222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).