N-tert-butylsulfonyl-5-[(2R)-2-[3,5-difluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide

C27H32F2N4O5S — CID 71599783

IUPACN-tert-butylsulfonyl-5-[(2R)-2-[3,5-difluoro-2-(oxan-4-yloxy)phenyl]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(F)c3OC3CCOCC3)cc12
InChIInChI=1S/C27H32F2N4O5S/c1-27(2,3)39(35,36)31-26(34)21-16-30-33-10-6-18(15-24(21)33)32-9-4-5-23(32)20-13-17(28)14-22(29)25(20)38-19-7-11-37-12-8-19/h6,10,13-16,19,23H,4-5,7-9,11-12H2,1-3H3,(H,31,34)/t23-/m1/s1
InChIKeyBARKGUBZZGECKQ-HSZRJFAPSA-N
MW562.64 g/mol
LogP4.37
Rot. Bonds6

About N-tert-butylsulfonyl-5-[(2R)-2-[3,5-difluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide

N-tert-butylsulfonyl-5-[(2R)-2-[3,5-difluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 71599783) has the molecular formula C27H32F2N4O5S and a molecular weight of 562.64 g/mol. Its IUPAC name is N-tert-butylsulfonyl-5-[(2R)-2-[3,5-difluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butylsulfonyl-5-[(2R)-2-[3,5-difluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID71599783
Molecular FormulaC27H32F2N4O5S
Molecular Weight562.64 g/mol
Exact Mass562.21
IUPAC NameN-tert-butylsulfonyl-5-[(2R)-2-[3,5-difluoro-2-(oxan-4-yloxy)phenyl]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(F)c3OC3CCOCC3)cc12
InChIInChI=1S/C27H32F2N4O5S/c1-27(2,3)39(35,36)31-26(34)21-16-30-33-10-6-18(15-24(21)33)32-9-4-5-23(32)20-13-17(28)14-22(29)25(20)38-19-7-11-37-12-8-19/h6,10,13-16,19,23H,4-5,7-9,11-12H2,1-3H3,(H,31,34)/t23-/m1/s1
InChIKeyBARKGUBZZGECKQ-HSZRJFAPSA-N
XLogP4.37
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500562.64
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-tert-butylsulfonyl-5-[(2R)-2-[3,5-difluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-tert-butylsulfonyl-5-[(2R)-2-[3,5-difluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 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) is N-tert-butylsulfonyl-5-[(2R)-2-[3,5-difluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-tert-butylsulfonyl-5-[(2R)-2-[3,5-difluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-tert-butylsulfonyl-5-[(2R)-2-[3,5-difluoro-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(N3CCC[C@@H]3c3cc(F)cc(F)c3OC3CCOCC3)cc12.
What is the InChIKey of N-tert-butylsulfonyl-5-[(2R)-2-[3,5-difluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is BARKGUBZZGECKQ-HSZRJFAPSA-N. The full InChI is InChI=1S/C27H32F2N4O5S/c1-27(2,3)39(35,36)31-26(34)21-16-30-33-10-6-18(15-24(21)33)32-9-4-5-23(32)20-13-17(28)14-22(29)25(20)38-19-7-11-37-12-8-19/h6,10,13-16,19,23H,4-5,7-9,11-12H2,1-3H3,(H,31,34)/t23-/m1/s1.
What are the key properties of N-tert-butylsulfonyl-5-[(2R)-2-[3,5-difluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
N-tert-butylsulfonyl-5-[(2R)-2-[3,5-difluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 562.64 g/mol, XLogP of 4.37, 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-[3,5-difluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 71599783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).