N-tert-butylsulfonyl-5-[4-fluoro-2-(6-fluoro-1,3-benzodioxol-4-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide

C23H24F2N4O5S — CID 123491587

IUPACN-tert-butylsulfonyl-5-[4-fluoro-2-(6-fluoro-1,3-benzodioxol-4-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCC(C)(C)S(=O)(=O)NC(=O)c1cnn2ccc(N3CC(F)CC3c3cc(F)cc4c3OCO4)cc12
InChIInChI=1S/C23H24F2N4O5S/c1-23(2,3)35(31,32)27-22(30)17-10-26-29-5-4-15(9-19(17)29)28-11-14(25)7-18(28)16-6-13(24)8-20-21(16)34-12-33-20/h4-6,8-10,14,18H,7,11-12H2,1-3H3,(H,27,30)
InChIKeyMZAVUFAUGJLGKA-UHFFFAOYSA-N
MW506.53 g/mol
LogP3.35
Rot. Bonds4

About N-tert-butylsulfonyl-5-[4-fluoro-2-(6-fluoro-1,3-benzodioxol-4-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide

N-tert-butylsulfonyl-5-[4-fluoro-2-(6-fluoro-1,3-benzodioxol-4-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 123491587) has the molecular formula C23H24F2N4O5S and a molecular weight of 506.53 g/mol. Its IUPAC name is N-tert-butylsulfonyl-5-[4-fluoro-2-(6-fluoro-1,3-benzodioxol-4-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butylsulfonyl-5-[4-fluoro-2-(6-fluoro-1,3-benzodioxol-4-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID123491587
Molecular FormulaC23H24F2N4O5S
Molecular Weight506.53 g/mol
Exact Mass506.14
IUPAC NameN-tert-butylsulfonyl-5-[4-fluoro-2-(6-fluoro-1,3-benzodioxol-4-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCC(C)(C)S(=O)(=O)NC(=O)c1cnn2ccc(N3CC(F)CC3c3cc(F)cc4c3OCO4)cc12
InChIInChI=1S/C23H24F2N4O5S/c1-23(2,3)35(31,32)27-22(30)17-10-26-29-5-4-15(9-19(17)29)28-11-14(25)7-18(28)16-6-13(24)8-20-21(16)34-12-33-20/h4-6,8-10,14,18H,7,11-12H2,1-3H3,(H,27,30)
InChIKeyMZAVUFAUGJLGKA-UHFFFAOYSA-N
XLogP3.35
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.53
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-tert-butylsulfonyl-5-[4-fluoro-2-(6-fluoro-1,3-benzodioxol-4-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-tert-butylsulfonyl-5-[4-fluoro-2-(6-fluoro-1,3-benzodioxol-4-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 123491587) is N-tert-butylsulfonyl-5-[4-fluoro-2-(6-fluoro-1,3-benzodioxol-4-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-tert-butylsulfonyl-5-[4-fluoro-2-(6-fluoro-1,3-benzodioxol-4-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-tert-butylsulfonyl-5-[4-fluoro-2-(6-fluoro-1,3-benzodioxol-4-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is CC(C)(C)S(=O)(=O)NC(=O)c1cnn2ccc(N3CC(F)CC3c3cc(F)cc4c3OCO4)cc12.
What is the InChIKey of N-tert-butylsulfonyl-5-[4-fluoro-2-(6-fluoro-1,3-benzodioxol-4-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is MZAVUFAUGJLGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N4O5S/c1-23(2,3)35(31,32)27-22(30)17-10-26-29-5-4-15(9-19(17)29)28-11-14(25)7-18(28)16-6-13(24)8-20-21(16)34-12-33-20/h4-6,8-10,14,18H,7,11-12H2,1-3H3,(H,27,30).
What are the key properties of N-tert-butylsulfonyl-5-[4-fluoro-2-(6-fluoro-1,3-benzodioxol-4-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
N-tert-butylsulfonyl-5-[4-fluoro-2-(6-fluoro-1,3-benzodioxol-4-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 506.53 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylsulfonyl-5-[4-fluoro-2-(6-fluoro-1,3-benzodioxol-4-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 123491587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).