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

C23H23F3N4O5S — CID 123861248

IUPACN-tert-butylsulfonyl-4-fluoro-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)c(F)c12
InChIInChI=1S/C23H23F3N4O5S/c1-23(2,3)36(32,33)28-22(31)15-9-27-30-5-4-16(19(26)20(15)30)29-10-13(25)7-17(29)14-6-12(24)8-18-21(14)35-11-34-18/h4-6,8-9,13,17H,7,10-11H2,1-3H3,(H,28,31)
InChIKeyMQZPWMNCSTZZOY-UHFFFAOYSA-N
MW524.52 g/mol
LogP3.49
Rot. Bonds4

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

N-tert-butylsulfonyl-4-fluoro-5-[4-fluoro-2-(6-fluoro-1,3-benzodioxol-4-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 123861248) has the molecular formula C23H23F3N4O5S and a molecular weight of 524.52 g/mol. Its IUPAC name is N-tert-butylsulfonyl-4-fluoro-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-4-fluoro-5-[4-fluoro-2-(6-fluoro-1,3-benzodioxol-4-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID123861248
Molecular FormulaC23H23F3N4O5S
Molecular Weight524.52 g/mol
Exact Mass524.13
IUPAC NameN-tert-butylsulfonyl-4-fluoro-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)c(F)c12
InChIInChI=1S/C23H23F3N4O5S/c1-23(2,3)36(32,33)28-22(31)15-9-27-30-5-4-16(19(26)20(15)30)29-10-13(25)7-17(29)14-6-12(24)8-18-21(14)35-11-34-18/h4-6,8-9,13,17H,7,10-11H2,1-3H3,(H,28,31)
InChIKeyMQZPWMNCSTZZOY-UHFFFAOYSA-N
XLogP3.49
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.52
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-tert-butylsulfonyl-4-fluoro-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-4-fluoro-5-[4-fluoro-2-(6-fluoro-1,3-benzodioxol-4-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 123861248) is N-tert-butylsulfonyl-4-fluoro-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-4-fluoro-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-4-fluoro-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)c(F)c12.
What is the InChIKey of N-tert-butylsulfonyl-4-fluoro-5-[4-fluoro-2-(6-fluoro-1,3-benzodioxol-4-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is MQZPWMNCSTZZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O5S/c1-23(2,3)36(32,33)28-22(31)15-9-27-30-5-4-16(19(26)20(15)30)29-10-13(25)7-17(29)14-6-12(24)8-18-21(14)35-11-34-18/h4-6,8-9,13,17H,7,10-11H2,1-3H3,(H,28,31).
What are the key properties of N-tert-butylsulfonyl-4-fluoro-5-[4-fluoro-2-(6-fluoro-1,3-benzodioxol-4-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
N-tert-butylsulfonyl-4-fluoro-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 524.52 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylsulfonyl-4-fluoro-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 123861248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).