5-[(2R)-2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidin-1-yl]-N-propan-2-ylsulfonylpyrazolo[1,5-a]pyridine-3-carboxamide

C23H25FN4O5S — CID 122429426

IUPAC5-[(2R)-2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidin-1-yl]-N-propan-2-ylsulfonylpyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCC(C)S(=O)(=O)NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)c4c(c3)OCCO4)cc12
InChIInChI=1S/C23H25FN4O5S/c1-14(2)34(30,31)26-23(29)17-13-25-28-7-5-16(12-20(17)28)27-6-3-4-19(27)15-10-18(24)22-21(11-15)32-8-9-33-22/h5,7,10-14,19H,3-4,6,8-9H2,1-2H3,(H,26,29)/t19-/m1/s1
InChIKeyAPJXNKWLUPKHTQ-LJQANCHMSA-N
MW488.54 g/mol
LogP3.05
Rot. Bonds5

About 5-[(2R)-2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidin-1-yl]-N-propan-2-ylsulfonylpyrazolo[1,5-a]pyridine-3-carboxamide

5-[(2R)-2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidin-1-yl]-N-propan-2-ylsulfonylpyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 122429426) has the molecular formula C23H25FN4O5S and a molecular weight of 488.54 g/mol. Its IUPAC name is 5-[(2R)-2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidin-1-yl]-N-propan-2-ylsulfonylpyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(2R)-2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidin-1-yl]-N-propan-2-ylsulfonylpyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID122429426
Molecular FormulaC23H25FN4O5S
Molecular Weight488.54 g/mol
Exact Mass488.15
IUPAC Name5-[(2R)-2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidin-1-yl]-N-propan-2-ylsulfonylpyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCC(C)S(=O)(=O)NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)c4c(c3)OCCO4)cc12
InChIInChI=1S/C23H25FN4O5S/c1-14(2)34(30,31)26-23(29)17-13-25-28-7-5-16(12-20(17)28)27-6-3-4-19(27)15-10-18(24)22-21(11-15)32-8-9-33-22/h5,7,10-14,19H,3-4,6,8-9H2,1-2H3,(H,26,29)/t19-/m1/s1
InChIKeyAPJXNKWLUPKHTQ-LJQANCHMSA-N
XLogP3.05
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.54
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidin-1-yl]-N-propan-2-ylsulfonylpyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 5-[(2R)-2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidin-1-yl]-N-propan-2-ylsulfonylpyrazolo[1,5-a]pyridine-3-carboxamide (CID 122429426) is 5-[(2R)-2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidin-1-yl]-N-propan-2-ylsulfonylpyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 5-[(2R)-2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidin-1-yl]-N-propan-2-ylsulfonylpyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 5-[(2R)-2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidin-1-yl]-N-propan-2-ylsulfonylpyrazolo[1,5-a]pyridine-3-carboxamide is CC(C)S(=O)(=O)NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)c4c(c3)OCCO4)cc12.
What is the InChIKey of 5-[(2R)-2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidin-1-yl]-N-propan-2-ylsulfonylpyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is APJXNKWLUPKHTQ-LJQANCHMSA-N. The full InChI is InChI=1S/C23H25FN4O5S/c1-14(2)34(30,31)26-23(29)17-13-25-28-7-5-16(12-20(17)28)27-6-3-4-19(27)15-10-18(24)22-21(11-15)32-8-9-33-22/h5,7,10-14,19H,3-4,6,8-9H2,1-2H3,(H,26,29)/t19-/m1/s1.
What are the key properties of 5-[(2R)-2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidin-1-yl]-N-propan-2-ylsulfonylpyrazolo[1,5-a]pyridine-3-carboxamide?
5-[(2R)-2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidin-1-yl]-N-propan-2-ylsulfonylpyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 488.54 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidin-1-yl]-N-propan-2-ylsulfonylpyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 122429426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).