3-[3-(difluoromethoxy)phenyl]-N-(3-hydroxy-2-methylbutan-2-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide

C22H26F2N4O3 — CID 162359015

IUPAC3-[3-(difluoromethoxy)phenyl]-N-(3-hydroxy-2-methylbutan-2-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide
SMILESCC(C)n1nc(-c2cccc(OC(F)F)c2)c2ncc(C(=O)NC(C)(C)C(C)O)cc21
InChIInChI=1S/C22H26F2N4O3/c1-12(2)28-17-10-15(20(30)26-22(4,5)13(3)29)11-25-19(17)18(27-28)14-7-6-8-16(9-14)31-21(23)24/h6-13,21,29H,1-5H3,(H,26,30)
InChIKeyDPIVPFCDTFVMPN-UHFFFAOYSA-N
MW432.47 g/mol
LogP4.17
Rot. Bonds7

About 3-[3-(difluoromethoxy)phenyl]-N-(3-hydroxy-2-methylbutan-2-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide

3-[3-(difluoromethoxy)phenyl]-N-(3-hydroxy-2-methylbutan-2-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide (PubChem CID 162359015) has the molecular formula C22H26F2N4O3 and a molecular weight of 432.47 g/mol. Its IUPAC name is 3-[3-(difluoromethoxy)phenyl]-N-(3-hydroxy-2-methylbutan-2-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-[3-(difluoromethoxy)phenyl]-N-(3-hydroxy-2-methylbutan-2-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide
PubChem CID162359015
Molecular FormulaC22H26F2N4O3
Molecular Weight432.47 g/mol
Exact Mass432.20
IUPAC Name3-[3-(difluoromethoxy)phenyl]-N-(3-hydroxy-2-methylbutan-2-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide
SMILESCC(C)n1nc(-c2cccc(OC(F)F)c2)c2ncc(C(=O)NC(C)(C)C(C)O)cc21
InChIInChI=1S/C22H26F2N4O3/c1-12(2)28-17-10-15(20(30)26-22(4,5)13(3)29)11-25-19(17)18(27-28)14-7-6-8-16(9-14)31-21(23)24/h6-13,21,29H,1-5H3,(H,26,30)
InChIKeyDPIVPFCDTFVMPN-UHFFFAOYSA-N
XLogP4.17
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.47
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(difluoromethoxy)phenyl]-N-(3-hydroxy-2-methylbutan-2-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide?
The IUPAC name of 3-[3-(difluoromethoxy)phenyl]-N-(3-hydroxy-2-methylbutan-2-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide (CID 162359015) is 3-[3-(difluoromethoxy)phenyl]-N-(3-hydroxy-2-methylbutan-2-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide.
What is the SMILES notation for 3-[3-(difluoromethoxy)phenyl]-N-(3-hydroxy-2-methylbutan-2-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide?
The canonical SMILES for 3-[3-(difluoromethoxy)phenyl]-N-(3-hydroxy-2-methylbutan-2-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide is CC(C)n1nc(-c2cccc(OC(F)F)c2)c2ncc(C(=O)NC(C)(C)C(C)O)cc21.
What is the InChIKey of 3-[3-(difluoromethoxy)phenyl]-N-(3-hydroxy-2-methylbutan-2-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide?
The InChIKey is DPIVPFCDTFVMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2N4O3/c1-12(2)28-17-10-15(20(30)26-22(4,5)13(3)29)11-25-19(17)18(27-28)14-7-6-8-16(9-14)31-21(23)24/h6-13,21,29H,1-5H3,(H,26,30).
What are the key properties of 3-[3-(difluoromethoxy)phenyl]-N-(3-hydroxy-2-methylbutan-2-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide?
3-[3-(difluoromethoxy)phenyl]-N-(3-hydroxy-2-methylbutan-2-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide has a molecular weight of 432.47 g/mol, XLogP of 4.17, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(difluoromethoxy)phenyl]-N-(3-hydroxy-2-methylbutan-2-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide is sourced from PubChem (CID 162359015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).