3-[5-(difluoromethoxy)-2-fluorophenyl]-N-[1-(dimethylamino)-2-methylpropan-2-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide

C23H28F3N5O2 — CID 162359025

IUPAC3-[5-(difluoromethoxy)-2-fluorophenyl]-N-[1-(dimethylamino)-2-methylpropan-2-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide
SMILESCC(C)n1nc(-c2cc(OC(F)F)ccc2F)c2ncc(C(=O)NC(C)(C)CN(C)C)cc21
InChIInChI=1S/C23H28F3N5O2/c1-13(2)31-18-9-14(21(32)28-23(3,4)12-30(5)6)11-27-20(18)19(29-31)16-10-15(33-22(25)26)7-8-17(16)24/h7-11,13,22H,12H2,1-6H3,(H,28,32)
InChIKeyNHZOQUYTQAKGLI-UHFFFAOYSA-N
MW463.50 g/mol
LogP4.49
Rot. Bonds8

About 3-[5-(difluoromethoxy)-2-fluorophenyl]-N-[1-(dimethylamino)-2-methylpropan-2-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide

3-[5-(difluoromethoxy)-2-fluorophenyl]-N-[1-(dimethylamino)-2-methylpropan-2-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide (PubChem CID 162359025) has the molecular formula C23H28F3N5O2 and a molecular weight of 463.50 g/mol. Its IUPAC name is 3-[5-(difluoromethoxy)-2-fluorophenyl]-N-[1-(dimethylamino)-2-methylpropan-2-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-[5-(difluoromethoxy)-2-fluorophenyl]-N-[1-(dimethylamino)-2-methylpropan-2-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide
PubChem CID162359025
Molecular FormulaC23H28F3N5O2
Molecular Weight463.50 g/mol
Exact Mass463.22
IUPAC Name3-[5-(difluoromethoxy)-2-fluorophenyl]-N-[1-(dimethylamino)-2-methylpropan-2-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide
SMILESCC(C)n1nc(-c2cc(OC(F)F)ccc2F)c2ncc(C(=O)NC(C)(C)CN(C)C)cc21
InChIInChI=1S/C23H28F3N5O2/c1-13(2)31-18-9-14(21(32)28-23(3,4)12-30(5)6)11-27-20(18)19(29-31)16-10-15(33-22(25)26)7-8-17(16)24/h7-11,13,22H,12H2,1-6H3,(H,28,32)
InChIKeyNHZOQUYTQAKGLI-UHFFFAOYSA-N
XLogP4.49
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.50
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(difluoromethoxy)-2-fluorophenyl]-N-[1-(dimethylamino)-2-methylpropan-2-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide?
The IUPAC name of 3-[5-(difluoromethoxy)-2-fluorophenyl]-N-[1-(dimethylamino)-2-methylpropan-2-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide (CID 162359025) is 3-[5-(difluoromethoxy)-2-fluorophenyl]-N-[1-(dimethylamino)-2-methylpropan-2-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide.
What is the SMILES notation for 3-[5-(difluoromethoxy)-2-fluorophenyl]-N-[1-(dimethylamino)-2-methylpropan-2-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide?
The canonical SMILES for 3-[5-(difluoromethoxy)-2-fluorophenyl]-N-[1-(dimethylamino)-2-methylpropan-2-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide is CC(C)n1nc(-c2cc(OC(F)F)ccc2F)c2ncc(C(=O)NC(C)(C)CN(C)C)cc21.
What is the InChIKey of 3-[5-(difluoromethoxy)-2-fluorophenyl]-N-[1-(dimethylamino)-2-methylpropan-2-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide?
The InChIKey is NHZOQUYTQAKGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F3N5O2/c1-13(2)31-18-9-14(21(32)28-23(3,4)12-30(5)6)11-27-20(18)19(29-31)16-10-15(33-22(25)26)7-8-17(16)24/h7-11,13,22H,12H2,1-6H3,(H,28,32).
What are the key properties of 3-[5-(difluoromethoxy)-2-fluorophenyl]-N-[1-(dimethylamino)-2-methylpropan-2-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide?
3-[5-(difluoromethoxy)-2-fluorophenyl]-N-[1-(dimethylamino)-2-methylpropan-2-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide has a molecular weight of 463.50 g/mol, XLogP of 4.49, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(difluoromethoxy)-2-fluorophenyl]-N-[1-(dimethylamino)-2-methylpropan-2-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide is sourced from PubChem (CID 162359025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).