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

C24H29FN4O4S — CID 71598813

IUPACN-tert-butylsulfonyl-5-[(2R)-2-(2-ethoxy-5-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCCOc1ccc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NS(=O)(=O)C(C)(C)C)c2c1
InChIInChI=1S/C24H29FN4O4S/c1-5-33-22-9-8-16(25)13-18(22)20-7-6-11-28(20)17-10-12-29-21(14-17)19(15-26-29)23(30)27-34(31,32)24(2,3)4/h8-10,12-15,20H,5-7,11H2,1-4H3,(H,27,30)/t20-/m1/s1
InChIKeyJXCWNIXGWDDMAF-HXUWFJFHSA-N
MW488.59 g/mol
LogP4.07
Rot. Bonds6

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

N-tert-butylsulfonyl-5-[(2R)-2-(2-ethoxy-5-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 71598813) has the molecular formula C24H29FN4O4S and a molecular weight of 488.59 g/mol. Its IUPAC name is N-tert-butylsulfonyl-5-[(2R)-2-(2-ethoxy-5-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butylsulfonyl-5-[(2R)-2-(2-ethoxy-5-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID71598813
Molecular FormulaC24H29FN4O4S
Molecular Weight488.59 g/mol
Exact Mass488.19
IUPAC NameN-tert-butylsulfonyl-5-[(2R)-2-(2-ethoxy-5-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCCOc1ccc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NS(=O)(=O)C(C)(C)C)c2c1
InChIInChI=1S/C24H29FN4O4S/c1-5-33-22-9-8-16(25)13-18(22)20-7-6-11-28(20)17-10-12-29-21(14-17)19(15-26-29)23(30)27-34(31,32)24(2,3)4/h8-10,12-15,20H,5-7,11H2,1-4H3,(H,27,30)/t20-/m1/s1
InChIKeyJXCWNIXGWDDMAF-HXUWFJFHSA-N
XLogP4.07
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.59
LogP ≤ 54.07
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-ethoxy-5-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-tert-butylsulfonyl-5-[(2R)-2-(2-ethoxy-5-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 71598813) is N-tert-butylsulfonyl-5-[(2R)-2-(2-ethoxy-5-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-tert-butylsulfonyl-5-[(2R)-2-(2-ethoxy-5-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-tert-butylsulfonyl-5-[(2R)-2-(2-ethoxy-5-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is CCOc1ccc(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-(2-ethoxy-5-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is JXCWNIXGWDDMAF-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H29FN4O4S/c1-5-33-22-9-8-16(25)13-18(22)20-7-6-11-28(20)17-10-12-29-21(14-17)19(15-26-29)23(30)27-34(31,32)24(2,3)4/h8-10,12-15,20H,5-7,11H2,1-4H3,(H,27,30)/t20-/m1/s1.
What are the key properties of N-tert-butylsulfonyl-5-[(2R)-2-(2-ethoxy-5-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
N-tert-butylsulfonyl-5-[(2R)-2-(2-ethoxy-5-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 488.59 g/mol, XLogP of 4.07, 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-ethoxy-5-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 71598813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).