5-[(2R,4S)-2-(2-cyclopropyloxy-5-fluorophenyl)-4-fluoropyrrolidin-1-yl]-N-[4-[ethyl-[[5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-(oxolan-3-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]sulfamoyl]amino]-2-methylbutan-2-yl]sulfonylpyrazolo[1,5-a]pyridine-3-carboxamide

C50H55F4N9O9S2 — CID 130440568

IUPAC5-[(2R,4S)-2-(2-cyclopropyloxy-5-fluorophenyl)-4-fluoropyrrolidin-1-yl]-N-[4-[ethyl-[[5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-(oxolan-3-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]sulfamoyl]amino]-2-methylbutan-2-yl]sulfonylpyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCCN(CCC(C)(C)S(=O)(=O)NC(=O)c1cnn2ccc(N3C[C@@H](F)C[C@@H]3c3cc(F)ccc3OC3CC3)cc12)S(=O)(=O)NC(=O)c1cnn2ccc(N3C[C@@H](F)C[C@@H]3c3cc(F)ccc3OC3CCOC3)cc12
InChIInChI=1S/C50H55F4N9O9S2/c1-4-59(74(68,69)58-49(65)41-26-56-63-16-12-35(24-45(41)63)61-28-33(54)22-43(61)39-20-31(52)6-10-47(39)72-37-13-18-70-29-37)17-14-50(2,3)73(66,67)57-48(64)40-25-55-62-15-11-34(23-44(40)62)60-27-32(53)21-42(60)38-19-30(51)5-9-46(38)71-36-7-8-36/h5-6,9-12,15-16,19-20,23-26,32-33,36-37,42-43H,4,7-8,13-14,17-18,21-22,27-29H2,1-3H3,(H,57,64)(H,58,65)/t32-,33-,37?,42+,43+/m0/s1
InChIKeyZAFYHSBMWUTRCM-GYSBTWAUSA-N
MW1066.17 g/mol
LogP6.77
Rot. Bonds18

About 5-[(2R,4S)-2-(2-cyclopropyloxy-5-fluorophenyl)-4-fluoropyrrolidin-1-yl]-N-[4-[ethyl-[[5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-(oxolan-3-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]sulfamoyl]amino]-2-methylbutan-2-yl]sulfonylpyrazolo[1,5-a]pyridine-3-carboxamide

5-[(2R,4S)-2-(2-cyclopropyloxy-5-fluorophenyl)-4-fluoropyrrolidin-1-yl]-N-[4-[ethyl-[[5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-(oxolan-3-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]sulfamoyl]amino]-2-methylbutan-2-yl]sulfonylpyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 130440568) has the molecular formula C50H55F4N9O9S2 and a molecular weight of 1066.17 g/mol. Its IUPAC name is 5-[(2R,4S)-2-(2-cyclopropyloxy-5-fluorophenyl)-4-fluoropyrrolidin-1-yl]-N-[4-[ethyl-[[5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-(oxolan-3-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]sulfamoyl]amino]-2-methylbutan-2-yl]sulfonylpyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(2R,4S)-2-(2-cyclopropyloxy-5-fluorophenyl)-4-fluoropyrrolidin-1-yl]-N-[4-[ethyl-[[5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-(oxolan-3-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]sulfamoyl]amino]-2-methylbutan-2-yl]sulfonylpyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID130440568
Molecular FormulaC50H55F4N9O9S2
Molecular Weight1066.17 g/mol
Exact Mass1065.35
IUPAC Name5-[(2R,4S)-2-(2-cyclopropyloxy-5-fluorophenyl)-4-fluoropyrrolidin-1-yl]-N-[4-[ethyl-[[5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-(oxolan-3-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]sulfamoyl]amino]-2-methylbutan-2-yl]sulfonylpyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCCN(CCC(C)(C)S(=O)(=O)NC(=O)c1cnn2ccc(N3C[C@@H](F)C[C@@H]3c3cc(F)ccc3OC3CC3)cc12)S(=O)(=O)NC(=O)c1cnn2ccc(N3C[C@@H](F)C[C@@H]3c3cc(F)ccc3OC3CCOC3)cc12
InChIInChI=1S/C50H55F4N9O9S2/c1-4-59(74(68,69)58-49(65)41-26-56-63-16-12-35(24-45(41)63)61-28-33(54)22-43(61)39-20-31(52)6-10-47(39)72-37-13-18-70-29-37)17-14-50(2,3)73(66,67)57-48(64)40-25-55-62-15-11-34(23-44(40)62)60-27-32(53)21-42(60)38-19-30(51)5-9-46(38)71-36-7-8-36/h5-6,9-12,15-16,19-20,23-26,32-33,36-37,42-43H,4,7-8,13-14,17-18,21-22,27-29H2,1-3H3,(H,57,64)(H,58,65)/t32-,33-,37?,42+,43+/m0/s1
InChIKeyZAFYHSBMWUTRCM-GYSBTWAUSA-N
XLogP6.77
TPSA198.49 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds18
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001066.17
LogP ≤ 56.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Analyze 5-[(2R,4S)-2-(2-cyclopropyloxy-5-fluorophenyl)-4-fluoropyrrolidin-1-yl]-N-[4-[ethyl-[[5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-(oxolan-3-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]sulfamoyl]amino]-2-methylbutan-2-yl]sulfonylpyrazolo[1,5-a]pyridine-3-carboxamide with MolForge

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Related Compounds

N-tert-butylsulfonyl-5-[(2R)-2-[2-(cyclopropylmethoxy)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 71598811
N-tert-butylsulfonyl-5-[(2R)-2-(2-ethoxy-5-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 71598813
N-tert-butylsulfonyl-5-[(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 71598905
N-tert-butylsulfonyl-5-[(2R)-2-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 71598907
N-tert-butylsulfonyl-5-[(2R)-2-[5-fluoro-2-(2-fluoroethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 71598996
N-tert-butylsulfonyl-5-[(2R)-2-[5-fluoro-2-(oxolan-3-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 71598999
N-tert-butylsulfonyl-5-[2-(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 71599092
N-tert-butylsulfonyl-5-[(2R)-2-[2-(difluoromethoxy)-5-fluorophenyl]pyrrolidin-1-yl]-4-fluoropyrazolo[1,5-a]pyridine-3-carboxamide
CID 71599094
N-tert-butylsulfonyl-5-[(2R)-2-[2-fluoro-5-(2-methoxyethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 71599096
N-tert-butylsulfonyl-5-[(2R)-2-[5-fluoro-2-(2-methoxyethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 71599186
N-tert-butylsulfonyl-5-[(2R)-2-[2-(difluoromethoxy)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 71599265
N-(diethylsulfamoyl)-5-[(2R)-2-[5-fluoro-2-(2-fluoroethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 71599351

Frequently Asked Questions

What is the IUPAC name of 5-[(2R,4S)-2-(2-cyclopropyloxy-5-fluorophenyl)-4-fluoropyrrolidin-1-yl]-N-[4-[ethyl-[[5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-(oxolan-3-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]sulfamoyl]amino]-2-methylbutan-2-yl]sulfonylpyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 5-[(2R,4S)-2-(2-cyclopropyloxy-5-fluorophenyl)-4-fluoropyrrolidin-1-yl]-N-[4-[ethyl-[[5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-(oxolan-3-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]sulfamoyl]amino]-2-methylbutan-2-yl]sulfonylpyrazolo[1,5-a]pyridine-3-carboxamide (CID 130440568) is 5-[(2R,4S)-2-(2-cyclopropyloxy-5-fluorophenyl)-4-fluoropyrrolidin-1-yl]-N-[4-[ethyl-[[5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-(oxolan-3-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]sulfamoyl]amino]-2-methylbutan-2-yl]sulfonylpyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 5-[(2R,4S)-2-(2-cyclopropyloxy-5-fluorophenyl)-4-fluoropyrrolidin-1-yl]-N-[4-[ethyl-[[5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-(oxolan-3-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]sulfamoyl]amino]-2-methylbutan-2-yl]sulfonylpyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 5-[(2R,4S)-2-(2-cyclopropyloxy-5-fluorophenyl)-4-fluoropyrrolidin-1-yl]-N-[4-[ethyl-[[5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-(oxolan-3-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]sulfamoyl]amino]-2-methylbutan-2-yl]sulfonylpyrazolo[1,5-a]pyridine-3-carboxamide is CCN(CCC(C)(C)S(=O)(=O)NC(=O)c1cnn2ccc(N3C[C@@H](F)C[C@@H]3c3cc(F)ccc3OC3CC3)cc12)S(=O)(=O)NC(=O)c1cnn2ccc(N3C[C@@H](F)C[C@@H]3c3cc(F)ccc3OC3CCOC3)cc12.
What is the InChIKey of 5-[(2R,4S)-2-(2-cyclopropyloxy-5-fluorophenyl)-4-fluoropyrrolidin-1-yl]-N-[4-[ethyl-[[5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-(oxolan-3-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]sulfamoyl]amino]-2-methylbutan-2-yl]sulfonylpyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is ZAFYHSBMWUTRCM-GYSBTWAUSA-N. The full InChI is InChI=1S/C50H55F4N9O9S2/c1-4-59(74(68,69)58-49(65)41-26-56-63-16-12-35(24-45(41)63)61-28-33(54)22-43(61)39-20-31(52)6-10-47(39)72-37-13-18-70-29-37)17-14-50(2,3)73(66,67)57-48(64)40-25-55-62-15-11-34(23-44(40)62)60-27-32(53)21-42(60)38-19-30(51)5-9-46(38)71-36-7-8-36/h5-6,9-12,15-16,19-20,23-26,32-33,36-37,42-43H,4,7-8,13-14,17-18,21-22,27-29H2,1-3H3,(H,57,64)(H,58,65)/t32-,33-,37?,42+,43+/m0/s1.
What are the key properties of 5-[(2R,4S)-2-(2-cyclopropyloxy-5-fluorophenyl)-4-fluoropyrrolidin-1-yl]-N-[4-[ethyl-[[5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-(oxolan-3-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]sulfamoyl]amino]-2-methylbutan-2-yl]sulfonylpyrazolo[1,5-a]pyridine-3-carboxamide?
5-[(2R,4S)-2-(2-cyclopropyloxy-5-fluorophenyl)-4-fluoropyrrolidin-1-yl]-N-[4-[ethyl-[[5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-(oxolan-3-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]sulfamoyl]amino]-2-methylbutan-2-yl]sulfonylpyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 1066.17 g/mol, XLogP of 6.77, 18 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R,4S)-2-(2-cyclopropyloxy-5-fluorophenyl)-4-fluoropyrrolidin-1-yl]-N-[4-[ethyl-[[5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-(oxolan-3-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]sulfamoyl]amino]-2-methylbutan-2-yl]sulfonylpyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 130440568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).