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

C26H31FN4O5S — CID 134562131

IUPACN-tert-butylsulfonyl-5-[(2R)-2-[3-fluoro-5-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCC(C)(C)S(=O)(=O)NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)cc(O[C@@H]4CCOC4)c3)cc12
InChIInChI=1S/C26H31FN4O5S/c1-26(2,3)37(33,34)29-25(32)22-15-28-31-9-6-19(14-24(22)31)30-8-4-5-23(30)17-11-18(27)13-21(12-17)36-20-7-10-35-16-20/h6,9,11-15,20,23H,4-5,7-8,10,16H2,1-3H3,(H,29,32)/t20-,23-/m1/s1
InChIKeyJQRCZUZHRUASIV-NFBKMPQASA-N
MW530.62 g/mol
LogP3.84
Rot. Bonds6

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

N-tert-butylsulfonyl-5-[(2R)-2-[3-fluoro-5-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 134562131) has the molecular formula C26H31FN4O5S and a molecular weight of 530.62 g/mol. Its IUPAC name is N-tert-butylsulfonyl-5-[(2R)-2-[3-fluoro-5-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butylsulfonyl-5-[(2R)-2-[3-fluoro-5-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID134562131
Molecular FormulaC26H31FN4O5S
Molecular Weight530.62 g/mol
Exact Mass530.20
IUPAC NameN-tert-butylsulfonyl-5-[(2R)-2-[3-fluoro-5-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCC(C)(C)S(=O)(=O)NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)cc(O[C@@H]4CCOC4)c3)cc12
InChIInChI=1S/C26H31FN4O5S/c1-26(2,3)37(33,34)29-25(32)22-15-28-31-9-6-19(14-24(22)31)30-8-4-5-23(30)17-11-18(27)13-21(12-17)36-20-7-10-35-16-20/h6,9,11-15,20,23H,4-5,7-8,10,16H2,1-3H3,(H,29,32)/t20-,23-/m1/s1
InChIKeyJQRCZUZHRUASIV-NFBKMPQASA-N
XLogP3.84
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.62
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-tert-butylsulfonyl-5-[(2R)-2-[3-fluoro-5-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-tert-butylsulfonyl-5-[(2R)-2-[3-fluoro-5-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 134562131) is N-tert-butylsulfonyl-5-[(2R)-2-[3-fluoro-5-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-tert-butylsulfonyl-5-[(2R)-2-[3-fluoro-5-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-tert-butylsulfonyl-5-[(2R)-2-[3-fluoro-5-[(3R)-oxolan-3-yl]oxyphenyl]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)cc(O[C@@H]4CCOC4)c3)cc12.
What is the InChIKey of N-tert-butylsulfonyl-5-[(2R)-2-[3-fluoro-5-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is JQRCZUZHRUASIV-NFBKMPQASA-N. The full InChI is InChI=1S/C26H31FN4O5S/c1-26(2,3)37(33,34)29-25(32)22-15-28-31-9-6-19(14-24(22)31)30-8-4-5-23(30)17-11-18(27)13-21(12-17)36-20-7-10-35-16-20/h6,9,11-15,20,23H,4-5,7-8,10,16H2,1-3H3,(H,29,32)/t20-,23-/m1/s1.
What are the key properties of N-tert-butylsulfonyl-5-[(2R)-2-[3-fluoro-5-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
N-tert-butylsulfonyl-5-[(2R)-2-[3-fluoro-5-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 530.62 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylsulfonyl-5-[(2R)-2-[3-fluoro-5-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 134562131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).