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

C22H24ClFN4O3S — CID 71598812

IUPACN-tert-butylsulfonyl-5-[(2R)-2-(2-chloro-5-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCC(C)(C)S(=O)(=O)NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3Cl)cc12
InChIInChI=1S/C22H24ClFN4O3S/c1-22(2,3)32(30,31)26-21(29)17-13-25-28-10-8-15(12-20(17)28)27-9-4-5-19(27)16-11-14(24)6-7-18(16)23/h6-8,10-13,19H,4-5,9H2,1-3H3,(H,26,29)/t19-/m1/s1
InChIKeyAGHJYCDZSDFCPQ-LJQANCHMSA-N
MW478.98 g/mol
LogP4.33
Rot. Bonds4

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

N-tert-butylsulfonyl-5-[(2R)-2-(2-chloro-5-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 71598812) has the molecular formula C22H24ClFN4O3S and a molecular weight of 478.98 g/mol. Its IUPAC name is N-tert-butylsulfonyl-5-[(2R)-2-(2-chloro-5-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butylsulfonyl-5-[(2R)-2-(2-chloro-5-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID71598812
Molecular FormulaC22H24ClFN4O3S
Molecular Weight478.98 g/mol
Exact Mass478.12
IUPAC NameN-tert-butylsulfonyl-5-[(2R)-2-(2-chloro-5-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCC(C)(C)S(=O)(=O)NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3Cl)cc12
InChIInChI=1S/C22H24ClFN4O3S/c1-22(2,3)32(30,31)26-21(29)17-13-25-28-10-8-15(12-20(17)28)27-9-4-5-19(27)16-11-14(24)6-7-18(16)23/h6-8,10-13,19H,4-5,9H2,1-3H3,(H,26,29)/t19-/m1/s1
InChIKeyAGHJYCDZSDFCPQ-LJQANCHMSA-N
XLogP4.33
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.98
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-tert-butylsulfonyl-5-[(2R)-2-(2-chloro-5-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-tert-butylsulfonyl-5-[(2R)-2-(2-chloro-5-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 71598812) is N-tert-butylsulfonyl-5-[(2R)-2-(2-chloro-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-chloro-5-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-tert-butylsulfonyl-5-[(2R)-2-(2-chloro-5-fluorophenyl)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)ccc3Cl)cc12.
What is the InChIKey of N-tert-butylsulfonyl-5-[(2R)-2-(2-chloro-5-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is AGHJYCDZSDFCPQ-LJQANCHMSA-N. The full InChI is InChI=1S/C22H24ClFN4O3S/c1-22(2,3)32(30,31)26-21(29)17-13-25-28-10-8-15(12-20(17)28)27-9-4-5-19(27)16-11-14(24)6-7-18(16)23/h6-8,10-13,19H,4-5,9H2,1-3H3,(H,26,29)/t19-/m1/s1.
What are the key properties of N-tert-butylsulfonyl-5-[(2R)-2-(2-chloro-5-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
N-tert-butylsulfonyl-5-[(2R)-2-(2-chloro-5-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 478.98 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylsulfonyl-5-[(2R)-2-(2-chloro-5-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 71598812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).