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

C23H25F3N4O4S — CID 71599265

IUPACN-tert-butylsulfonyl-5-[(2R)-2-[2-(difluoromethoxy)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCC(C)(C)S(=O)(=O)NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3OC(F)F)cc12
InChIInChI=1S/C23H25F3N4O4S/c1-23(2,3)35(32,33)28-21(31)17-13-27-30-10-8-15(12-19(17)30)29-9-4-5-18(29)16-11-14(24)6-7-20(16)34-22(25)26/h6-8,10-13,18,22H,4-5,9H2,1-3H3,(H,28,31)/t18-/m1/s1
InChIKeyOVJVTKFJSWCMMO-GOSISDBHSA-N
MW510.54 g/mol
LogP4.27
Rot. Bonds6

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

N-tert-butylsulfonyl-5-[(2R)-2-[2-(difluoromethoxy)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 71599265) has the molecular formula C23H25F3N4O4S and a molecular weight of 510.54 g/mol. Its IUPAC name is N-tert-butylsulfonyl-5-[(2R)-2-[2-(difluoromethoxy)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butylsulfonyl-5-[(2R)-2-[2-(difluoromethoxy)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID71599265
Molecular FormulaC23H25F3N4O4S
Molecular Weight510.54 g/mol
Exact Mass510.15
IUPAC NameN-tert-butylsulfonyl-5-[(2R)-2-[2-(difluoromethoxy)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCC(C)(C)S(=O)(=O)NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3OC(F)F)cc12
InChIInChI=1S/C23H25F3N4O4S/c1-23(2,3)35(32,33)28-21(31)17-13-27-30-10-8-15(12-19(17)30)29-9-4-5-18(29)16-11-14(24)6-7-20(16)34-22(25)26/h6-8,10-13,18,22H,4-5,9H2,1-3H3,(H,28,31)/t18-/m1/s1
InChIKeyOVJVTKFJSWCMMO-GOSISDBHSA-N
XLogP4.27
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.54
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-tert-butylsulfonyl-5-[(2R)-2-[2-(difluoromethoxy)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-tert-butylsulfonyl-5-[(2R)-2-[2-(difluoromethoxy)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 71599265) is N-tert-butylsulfonyl-5-[(2R)-2-[2-(difluoromethoxy)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-tert-butylsulfonyl-5-[(2R)-2-[2-(difluoromethoxy)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-tert-butylsulfonyl-5-[(2R)-2-[2-(difluoromethoxy)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is CC(C)(C)S(=O)(=O)NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3OC(F)F)cc12.
What is the InChIKey of N-tert-butylsulfonyl-5-[(2R)-2-[2-(difluoromethoxy)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is OVJVTKFJSWCMMO-GOSISDBHSA-N. The full InChI is InChI=1S/C23H25F3N4O4S/c1-23(2,3)35(32,33)28-21(31)17-13-27-30-10-8-15(12-19(17)30)29-9-4-5-18(29)16-11-14(24)6-7-20(16)34-22(25)26/h6-8,10-13,18,22H,4-5,9H2,1-3H3,(H,28,31)/t18-/m1/s1.
What are the key properties of N-tert-butylsulfonyl-5-[(2R)-2-[2-(difluoromethoxy)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
N-tert-butylsulfonyl-5-[(2R)-2-[2-(difluoromethoxy)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 510.54 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylsulfonyl-5-[(2R)-2-[2-(difluoromethoxy)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 71599265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).