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

C23H24F4N4O4S — CID 71599094

IUPACN-tert-butylsulfonyl-5-[(2R)-2-[2-(difluoromethoxy)-5-fluorophenyl]pyrrolidin-1-yl]-4-fluoropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCC(C)(C)S(=O)(=O)NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3OC(F)F)c(F)c12
InChIInChI=1S/C23H24F4N4O4S/c1-23(2,3)36(33,34)29-21(32)15-12-28-31-10-8-17(19(25)20(15)31)30-9-4-5-16(30)14-11-13(24)6-7-18(14)35-22(26)27/h6-8,10-12,16,22H,4-5,9H2,1-3H3,(H,29,32)/t16-/m1/s1
InChIKeyPSGMHTNJMIJUOJ-MRXNPFEDSA-N
MW528.53 g/mol
LogP4.41
Rot. Bonds6

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

N-tert-butylsulfonyl-5-[(2R)-2-[2-(difluoromethoxy)-5-fluorophenyl]pyrrolidin-1-yl]-4-fluoropyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 71599094) has the molecular formula C23H24F4N4O4S and a molecular weight of 528.53 g/mol. Its IUPAC name is N-tert-butylsulfonyl-5-[(2R)-2-[2-(difluoromethoxy)-5-fluorophenyl]pyrrolidin-1-yl]-4-fluoropyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butylsulfonyl-5-[(2R)-2-[2-(difluoromethoxy)-5-fluorophenyl]pyrrolidin-1-yl]-4-fluoropyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID71599094
Molecular FormulaC23H24F4N4O4S
Molecular Weight528.53 g/mol
Exact Mass528.15
IUPAC NameN-tert-butylsulfonyl-5-[(2R)-2-[2-(difluoromethoxy)-5-fluorophenyl]pyrrolidin-1-yl]-4-fluoropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCC(C)(C)S(=O)(=O)NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3OC(F)F)c(F)c12
InChIInChI=1S/C23H24F4N4O4S/c1-23(2,3)36(33,34)29-21(32)15-12-28-31-10-8-17(19(25)20(15)31)30-9-4-5-16(30)14-11-13(24)6-7-18(14)35-22(26)27/h6-8,10-12,16,22H,4-5,9H2,1-3H3,(H,29,32)/t16-/m1/s1
InChIKeyPSGMHTNJMIJUOJ-MRXNPFEDSA-N
XLogP4.41
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.53
LogP ≤ 54.41
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]-4-fluoropyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-tert-butylsulfonyl-5-[(2R)-2-[2-(difluoromethoxy)-5-fluorophenyl]pyrrolidin-1-yl]-4-fluoropyrazolo[1,5-a]pyridine-3-carboxamide (CID 71599094) is N-tert-butylsulfonyl-5-[(2R)-2-[2-(difluoromethoxy)-5-fluorophenyl]pyrrolidin-1-yl]-4-fluoropyrazolo[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]-4-fluoropyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-tert-butylsulfonyl-5-[(2R)-2-[2-(difluoromethoxy)-5-fluorophenyl]pyrrolidin-1-yl]-4-fluoropyrazolo[1,5-a]pyridine-3-carboxamide is CC(C)(C)S(=O)(=O)NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3OC(F)F)c(F)c12.
What is the InChIKey of N-tert-butylsulfonyl-5-[(2R)-2-[2-(difluoromethoxy)-5-fluorophenyl]pyrrolidin-1-yl]-4-fluoropyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is PSGMHTNJMIJUOJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H24F4N4O4S/c1-23(2,3)36(33,34)29-21(32)15-12-28-31-10-8-17(19(25)20(15)31)30-9-4-5-16(30)14-11-13(24)6-7-18(14)35-22(26)27/h6-8,10-12,16,22H,4-5,9H2,1-3H3,(H,29,32)/t16-/m1/s1.
What are the key properties of N-tert-butylsulfonyl-5-[(2R)-2-[2-(difluoromethoxy)-5-fluorophenyl]pyrrolidin-1-yl]-4-fluoropyrazolo[1,5-a]pyridine-3-carboxamide?
N-tert-butylsulfonyl-5-[(2R)-2-[2-(difluoromethoxy)-5-fluorophenyl]pyrrolidin-1-yl]-4-fluoropyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 528.53 g/mol, XLogP of 4.41, 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]-4-fluoropyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 71599094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).