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

C23H27FN4O4S — CID 71598905

IUPACN-tert-butylsulfonyl-5-[(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCOc1ccc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NS(=O)(=O)C(C)(C)C)c2c1
InChIInChI=1S/C23H27FN4O4S/c1-23(2,3)33(30,31)26-22(29)18-14-25-28-11-9-16(13-20(18)28)27-10-5-6-19(27)17-12-15(24)7-8-21(17)32-4/h7-9,11-14,19H,5-6,10H2,1-4H3,(H,26,29)/t19-/m1/s1
InChIKeyCXRPOIKAJHSNOY-LJQANCHMSA-N
MW474.56 g/mol
LogP3.68
Rot. Bonds5

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

N-tert-butylsulfonyl-5-[(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 71598905) has the molecular formula C23H27FN4O4S and a molecular weight of 474.56 g/mol. Its IUPAC name is N-tert-butylsulfonyl-5-[(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butylsulfonyl-5-[(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID71598905
Molecular FormulaC23H27FN4O4S
Molecular Weight474.56 g/mol
Exact Mass474.17
IUPAC NameN-tert-butylsulfonyl-5-[(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCOc1ccc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NS(=O)(=O)C(C)(C)C)c2c1
InChIInChI=1S/C23H27FN4O4S/c1-23(2,3)33(30,31)26-22(29)18-14-25-28-11-9-16(13-20(18)28)27-10-5-6-19(27)17-12-15(24)7-8-21(17)32-4/h7-9,11-14,19H,5-6,10H2,1-4H3,(H,26,29)/t19-/m1/s1
InChIKeyCXRPOIKAJHSNOY-LJQANCHMSA-N
XLogP3.68
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 53.68
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-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-tert-butylsulfonyl-5-[(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 71598905) is N-tert-butylsulfonyl-5-[(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-tert-butylsulfonyl-5-[(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-tert-butylsulfonyl-5-[(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is COc1ccc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NS(=O)(=O)C(C)(C)C)c2c1.
What is the InChIKey of N-tert-butylsulfonyl-5-[(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is CXRPOIKAJHSNOY-LJQANCHMSA-N. The full InChI is InChI=1S/C23H27FN4O4S/c1-23(2,3)33(30,31)26-22(29)18-14-25-28-11-9-16(13-20(18)28)27-10-5-6-19(27)17-12-15(24)7-8-21(17)32-4/h7-9,11-14,19H,5-6,10H2,1-4H3,(H,26,29)/t19-/m1/s1.
What are the key properties of N-tert-butylsulfonyl-5-[(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
N-tert-butylsulfonyl-5-[(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 474.56 g/mol, XLogP of 3.68, 5 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-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 71598905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).