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

C22H23F3N4O3S — CID 78127949

IUPACN-tert-butylsulfonyl-4-fluoro-5-[4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCC(C)(C)S(=O)(=O)NC(=O)c1cnn2ccc(N3CC(F)CC3c3cccc(F)c3)c(F)c12
InChIInChI=1S/C22H23F3N4O3S/c1-22(2,3)33(31,32)27-21(30)16-11-26-29-8-7-17(19(25)20(16)29)28-12-15(24)10-18(28)13-5-4-6-14(23)9-13/h4-9,11,15,18H,10,12H2,1-3H3,(H,27,30)
InChIKeyUCXKOJIQJDNAGI-UHFFFAOYSA-N
MW480.51 g/mol
LogP3.76
Rot. Bonds4

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

N-tert-butylsulfonyl-4-fluoro-5-[4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 78127949) has the molecular formula C22H23F3N4O3S and a molecular weight of 480.51 g/mol. Its IUPAC name is N-tert-butylsulfonyl-4-fluoro-5-[4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butylsulfonyl-4-fluoro-5-[4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID78127949
Molecular FormulaC22H23F3N4O3S
Molecular Weight480.51 g/mol
Exact Mass480.14
IUPAC NameN-tert-butylsulfonyl-4-fluoro-5-[4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCC(C)(C)S(=O)(=O)NC(=O)c1cnn2ccc(N3CC(F)CC3c3cccc(F)c3)c(F)c12
InChIInChI=1S/C22H23F3N4O3S/c1-22(2,3)33(31,32)27-21(30)16-11-26-29-8-7-17(19(25)20(16)29)28-12-15(24)10-18(28)13-5-4-6-14(23)9-13/h4-9,11,15,18H,10,12H2,1-3H3,(H,27,30)
InChIKeyUCXKOJIQJDNAGI-UHFFFAOYSA-N
XLogP3.76
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.51
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-tert-butylsulfonyl-4-fluoro-5-[4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-tert-butylsulfonyl-4-fluoro-5-[4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 78127949) is N-tert-butylsulfonyl-4-fluoro-5-[4-fluoro-2-(3-fluorophenyl)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-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-tert-butylsulfonyl-4-fluoro-5-[4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is CC(C)(C)S(=O)(=O)NC(=O)c1cnn2ccc(N3CC(F)CC3c3cccc(F)c3)c(F)c12.
What is the InChIKey of N-tert-butylsulfonyl-4-fluoro-5-[4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is UCXKOJIQJDNAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4O3S/c1-22(2,3)33(31,32)27-21(30)16-11-26-29-8-7-17(19(25)20(16)29)28-12-15(24)10-18(28)13-5-4-6-14(23)9-13/h4-9,11,15,18H,10,12H2,1-3H3,(H,27,30).
What are the key properties of N-tert-butylsulfonyl-4-fluoro-5-[4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
N-tert-butylsulfonyl-4-fluoro-5-[4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 480.51 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylsulfonyl-4-fluoro-5-[4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 78127949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).