bis(N-tert-butylsulfonyl-5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide);5-[(2R,4S)-2-[3-(cyclopropylmethoxy)-5-fluorophenyl]-4-fluoropyrrolidin-1-yl]-N-[ethyl(methyl)sulfamoyl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[ethyl(methyl)sulfamoyl]-5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide

C105H124F8N18O19S4 — CID 157192785

IUPACbis(N-tert-butylsulfonyl-5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide);5-[(2R,4S)-2-[3-(cyclopropylmethoxy)-5-fluorophenyl]-4-fluoropyrrolidin-1-yl]-N-[ethyl(methyl)sulfamoyl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[ethyl(methyl)sulfamoyl]-5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCC(C)(C)S(=O)(=O)NC(=O)c1cnn2ccc(N3C[C@@H](F)C[C@@H]3c3cc(F)ccc3OC3CCOCC3)cc12.CC(C)(C)S(=O)(=O)NC(=O)c1cnn2ccc(N3C[C@@H](F)C[C@@H]3c3cc(F)ccc3OC3CCOCC3)cc12.CCN(C)S(=O)(=O)NC(=O)c1cnn2ccc(N3C[C@@H](F)C[C@@H]3c3cc(F)cc(OCC4CC4)c3)cc12.CCN(C)S(=O)(=O)NC(=O)c1cnn2ccc(N3C[C@@H](F)C[C@@H]3c3cc(F)ccc3OC3CCOCC3)cc12
InChIInChI=1S/2C27H32F2N4O5S.C26H31F2N5O5S.C25H29F2N5O4S/c2*1-27(2,3)39(35,36)31-26(34)22-15-30-33-9-6-19(14-24(22)33)32-16-18(29)13-23(32)21-12-17(28)4-5-25(21)38-20-7-10-37-11-8-20;1-3-31(2)39(35,36)30-26(34)22-15-29-33-9-6-19(14-24(22)33)32-16-18(28)13-23(32)21-12-17(27)4-5-25(21)38-20-7-10-37-11-8-20;1-3-30(2)37(34,35)29-25(33)22-13-28-32-7-6-20(12-24(22)32)31-14-19(27)11-23(31)17-8-18(26)10-21(9-17)36-15-16-4-5-16/h2*4-6,9,12,14-15,18,20,23H,7-8,10-11,13,16H2,1-3H3,(H,31,34);4-6,9,12,14-15,18,20,23H,3,7-8,10-11,13,16H2,1-2H3,(H,30,34);6-10,12-13,16,19,23H,3-5,11,14-15H2,1-2H3,(H,29,33)/t3*18-,23+;19-,23+/m0000/s1
InChIKeyAPWXQIOPDRADIK-LAMGGXSCSA-N
MW2222.51 g/mol
LogP15.08
Rot. Bonds29

About bis(N-tert-butylsulfonyl-5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide);5-[(2R,4S)-2-[3-(cyclopropylmethoxy)-5-fluorophenyl]-4-fluoropyrrolidin-1-yl]-N-[ethyl(methyl)sulfamoyl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[ethyl(methyl)sulfamoyl]-5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide

bis(N-tert-butylsulfonyl-5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide);5-[(2R,4S)-2-[3-(cyclopropylmethoxy)-5-fluorophenyl]-4-fluoropyrrolidin-1-yl]-N-[ethyl(methyl)sulfamoyl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[ethyl(methyl)sulfamoyl]-5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 157192785) has the molecular formula C105H124F8N18O19S4 and a molecular weight of 2222.51 g/mol. Its IUPAC name is bis(N-tert-butylsulfonyl-5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide);5-[(2R,4S)-2-[3-(cyclopropylmethoxy)-5-fluorophenyl]-4-fluoropyrrolidin-1-yl]-N-[ethyl(methyl)sulfamoyl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[ethyl(methyl)sulfamoyl]-5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Namebis(N-tert-butylsulfonyl-5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide);5-[(2R,4S)-2-[3-(cyclopropylmethoxy)-5-fluorophenyl]-4-fluoropyrrolidin-1-yl]-N-[ethyl(methyl)sulfamoyl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[ethyl(methyl)sulfamoyl]-5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID157192785
Molecular FormulaC105H124F8N18O19S4
Molecular Weight2222.51 g/mol
Exact Mass2220.80
IUPAC Namebis(N-tert-butylsulfonyl-5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide);5-[(2R,4S)-2-[3-(cyclopropylmethoxy)-5-fluorophenyl]-4-fluoropyrrolidin-1-yl]-N-[ethyl(methyl)sulfamoyl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[ethyl(methyl)sulfamoyl]-5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCC(C)(C)S(=O)(=O)NC(=O)c1cnn2ccc(N3C[C@@H](F)C[C@@H]3c3cc(F)ccc3OC3CCOCC3)cc12.CC(C)(C)S(=O)(=O)NC(=O)c1cnn2ccc(N3C[C@@H](F)C[C@@H]3c3cc(F)ccc3OC3CCOCC3)cc12.CCN(C)S(=O)(=O)NC(=O)c1cnn2ccc(N3C[C@@H](F)C[C@@H]3c3cc(F)cc(OCC4CC4)c3)cc12.CCN(C)S(=O)(=O)NC(=O)c1cnn2ccc(N3C[C@@H](F)C[C@@H]3c3cc(F)ccc3OC3CCOCC3)cc12
InChIInChI=1S/2C27H32F2N4O5S.C26H31F2N5O5S.C25H29F2N5O4S/c2*1-27(2,3)39(35,36)31-26(34)22-15-30-33-9-6-19(14-24(22)33)32-16-18(29)13-23(32)21-12-17(28)4-5-25(21)38-20-7-10-37-11-8-20;1-3-31(2)39(35,36)30-26(34)22-15-29-33-9-6-19(14-24(22)33)32-16-18(28)13-23(32)21-12-17(27)4-5-25(21)38-20-7-10-37-11-8-20;1-3-30(2)37(34,35)29-25(33)22-13-28-32-7-6-20(12-24(22)32)31-14-19(27)11-23(31)17-8-18(26)10-21(9-17)36-15-16-4-5-16/h2*4-6,9,12,14-15,18,20,23H,7-8,10-11,13,16H2,1-3H3,(H,31,34);4-6,9,12,14-15,18,20,23H,3,7-8,10-11,13,16H2,1-2H3,(H,30,34);6-10,12-13,16,19,23H,3-5,11,14-15H2,1-2H3,(H,29,33)/t3*18-,23+;19-,23+/m0000/s1
InChIKeyAPWXQIOPDRADIK-LAMGGXSCSA-N
XLogP15.08
TPSA406.21 Ų
H-Bond Donors4
H-Bond Acceptors31
Rotatable Bonds29
Heavy Atoms154
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002222.51
LogP ≤ 515.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1031

Analyze bis(N-tert-butylsulfonyl-5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide);5-[(2R,4S)-2-[3-(cyclopropylmethoxy)-5-fluorophenyl]-4-fluoropyrrolidin-1-yl]-N-[ethyl(methyl)sulfamoyl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[ethyl(methyl)sulfamoyl]-5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide with MolForge

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Related Compounds

N-tert-butylsulfonyl-5-[(2R)-2-[3,5-difluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 71599783
N-tert-butylsulfonyl-5-[(2R)-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 71599785
N-tert-butylsulfonyl-5-[2-[3,5-difluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 78127991
N-tert-butylsulfonyl-5-[2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 78127993
N-tert-butylsulfonyl-4-fluoro-5-[(2R)-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 89618333
N-tert-butylsulfonyl-4-fluoro-5-[2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 89618334
N-tert-butylsulfonyl-5-[(2R,4S)-4-fluoro-2-[3-fluoro-5-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 89635875
N-tert-butylsulfonyl-5-[(2R,4S)-2-(2-cyclopropyloxy-5-fluorophenyl)-4-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 89635881
5-[(2R,4S)-4-fluoro-2-[3-fluoro-5-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]-N-propan-2-ylsulfonylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 89635883
N-tert-butylsulfonyl-5-[(2R,4S)-2-[2-(cyclopropylmethoxy)-5-fluorophenyl]-4-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 89635885
N-tert-butylsulfonyl-5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 89635895
N-tert-butylsulfonyl-5-[2-(2-cyclopropyloxy-5-fluorophenyl)-4-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 123282904

Frequently Asked Questions

What is the IUPAC name of bis(N-tert-butylsulfonyl-5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide);5-[(2R,4S)-2-[3-(cyclopropylmethoxy)-5-fluorophenyl]-4-fluoropyrrolidin-1-yl]-N-[ethyl(methyl)sulfamoyl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[ethyl(methyl)sulfamoyl]-5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of bis(N-tert-butylsulfonyl-5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide);5-[(2R,4S)-2-[3-(cyclopropylmethoxy)-5-fluorophenyl]-4-fluoropyrrolidin-1-yl]-N-[ethyl(methyl)sulfamoyl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[ethyl(methyl)sulfamoyl]-5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 157192785) is bis(N-tert-butylsulfonyl-5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide);5-[(2R,4S)-2-[3-(cyclopropylmethoxy)-5-fluorophenyl]-4-fluoropyrrolidin-1-yl]-N-[ethyl(methyl)sulfamoyl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[ethyl(methyl)sulfamoyl]-5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for bis(N-tert-butylsulfonyl-5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide);5-[(2R,4S)-2-[3-(cyclopropylmethoxy)-5-fluorophenyl]-4-fluoropyrrolidin-1-yl]-N-[ethyl(methyl)sulfamoyl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[ethyl(methyl)sulfamoyl]-5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for bis(N-tert-butylsulfonyl-5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide);5-[(2R,4S)-2-[3-(cyclopropylmethoxy)-5-fluorophenyl]-4-fluoropyrrolidin-1-yl]-N-[ethyl(methyl)sulfamoyl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[ethyl(methyl)sulfamoyl]-5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is CC(C)(C)S(=O)(=O)NC(=O)c1cnn2ccc(N3C[C@@H](F)C[C@@H]3c3cc(F)ccc3OC3CCOCC3)cc12.CC(C)(C)S(=O)(=O)NC(=O)c1cnn2ccc(N3C[C@@H](F)C[C@@H]3c3cc(F)ccc3OC3CCOCC3)cc12.CCN(C)S(=O)(=O)NC(=O)c1cnn2ccc(N3C[C@@H](F)C[C@@H]3c3cc(F)cc(OCC4CC4)c3)cc12.CCN(C)S(=O)(=O)NC(=O)c1cnn2ccc(N3C[C@@H](F)C[C@@H]3c3cc(F)ccc3OC3CCOCC3)cc12.
What is the InChIKey of bis(N-tert-butylsulfonyl-5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide);5-[(2R,4S)-2-[3-(cyclopropylmethoxy)-5-fluorophenyl]-4-fluoropyrrolidin-1-yl]-N-[ethyl(methyl)sulfamoyl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[ethyl(methyl)sulfamoyl]-5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is APWXQIOPDRADIK-LAMGGXSCSA-N. The full InChI is InChI=1S/2C27H32F2N4O5S.C26H31F2N5O5S.C25H29F2N5O4S/c2*1-27(2,3)39(35,36)31-26(34)22-15-30-33-9-6-19(14-24(22)33)32-16-18(29)13-23(32)21-12-17(28)4-5-25(21)38-20-7-10-37-11-8-20;1-3-31(2)39(35,36)30-26(34)22-15-29-33-9-6-19(14-24(22)33)32-16-18(28)13-23(32)21-12-17(27)4-5-25(21)38-20-7-10-37-11-8-20;1-3-30(2)37(34,35)29-25(33)22-13-28-32-7-6-20(12-24(22)32)31-14-19(27)11-23(31)17-8-18(26)10-21(9-17)36-15-16-4-5-16/h2*4-6,9,12,14-15,18,20,23H,7-8,10-11,13,16H2,1-3H3,(H,31,34);4-6,9,12,14-15,18,20,23H,3,7-8,10-11,13,16H2,1-2H3,(H,30,34);6-10,12-13,16,19,23H,3-5,11,14-15H2,1-2H3,(H,29,33)/t3*18-,23+;19-,23+/m0000/s1.
What are the key properties of bis(N-tert-butylsulfonyl-5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide);5-[(2R,4S)-2-[3-(cyclopropylmethoxy)-5-fluorophenyl]-4-fluoropyrrolidin-1-yl]-N-[ethyl(methyl)sulfamoyl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[ethyl(methyl)sulfamoyl]-5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
bis(N-tert-butylsulfonyl-5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide);5-[(2R,4S)-2-[3-(cyclopropylmethoxy)-5-fluorophenyl]-4-fluoropyrrolidin-1-yl]-N-[ethyl(methyl)sulfamoyl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[ethyl(methyl)sulfamoyl]-5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 2222.51 g/mol, XLogP of 15.08, 29 rotatable bonds, 4 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-tert-butylsulfonyl-5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide);5-[(2R,4S)-2-[3-(cyclopropylmethoxy)-5-fluorophenyl]-4-fluoropyrrolidin-1-yl]-N-[ethyl(methyl)sulfamoyl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[ethyl(methyl)sulfamoyl]-5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 157192785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).