N-tert-butylsulfonyl-5-[(2R,4S)-2-(6-fluoro-1,3-benzodioxol-4-yl)-4-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide

C24H27FN4O5S — CID 134569999

IUPACN-tert-butylsulfonyl-5-[(2R,4S)-2-(6-fluoro-1,3-benzodioxol-4-yl)-4-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESC[C@H]1C[C@H](c2cc(F)cc3c2OCO3)N(c2ccn3ncc(C(=O)NS(=O)(=O)C(C)(C)C)c3c2)C1
InChIInChI=1S/C24H27FN4O5S/c1-14-7-19(17-8-15(25)9-21-22(17)34-13-33-21)28(12-14)16-5-6-29-20(10-16)18(11-26-29)23(30)27-35(31,32)24(2,3)4/h5-6,8-11,14,19H,7,12-13H2,1-4H3,(H,27,30)/t14-,19+/m0/s1
InChIKeyCSENEJXRZBVTPW-IFXJQAMLSA-N
MW502.57 g/mol
LogP3.65
Rot. Bonds4

About N-tert-butylsulfonyl-5-[(2R,4S)-2-(6-fluoro-1,3-benzodioxol-4-yl)-4-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide

N-tert-butylsulfonyl-5-[(2R,4S)-2-(6-fluoro-1,3-benzodioxol-4-yl)-4-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 134569999) has the molecular formula C24H27FN4O5S and a molecular weight of 502.57 g/mol. Its IUPAC name is N-tert-butylsulfonyl-5-[(2R,4S)-2-(6-fluoro-1,3-benzodioxol-4-yl)-4-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butylsulfonyl-5-[(2R,4S)-2-(6-fluoro-1,3-benzodioxol-4-yl)-4-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID134569999
Molecular FormulaC24H27FN4O5S
Molecular Weight502.57 g/mol
Exact Mass502.17
IUPAC NameN-tert-butylsulfonyl-5-[(2R,4S)-2-(6-fluoro-1,3-benzodioxol-4-yl)-4-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESC[C@H]1C[C@H](c2cc(F)cc3c2OCO3)N(c2ccn3ncc(C(=O)NS(=O)(=O)C(C)(C)C)c3c2)C1
InChIInChI=1S/C24H27FN4O5S/c1-14-7-19(17-8-15(25)9-21-22(17)34-13-33-21)28(12-14)16-5-6-29-20(10-16)18(11-26-29)23(30)27-35(31,32)24(2,3)4/h5-6,8-11,14,19H,7,12-13H2,1-4H3,(H,27,30)/t14-,19+/m0/s1
InChIKeyCSENEJXRZBVTPW-IFXJQAMLSA-N
XLogP3.65
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.57
LogP ≤ 53.65
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,4S)-2-(6-fluoro-1,3-benzodioxol-4-yl)-4-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-tert-butylsulfonyl-5-[(2R,4S)-2-(6-fluoro-1,3-benzodioxol-4-yl)-4-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 134569999) is N-tert-butylsulfonyl-5-[(2R,4S)-2-(6-fluoro-1,3-benzodioxol-4-yl)-4-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-tert-butylsulfonyl-5-[(2R,4S)-2-(6-fluoro-1,3-benzodioxol-4-yl)-4-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-tert-butylsulfonyl-5-[(2R,4S)-2-(6-fluoro-1,3-benzodioxol-4-yl)-4-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is C[C@H]1C[C@H](c2cc(F)cc3c2OCO3)N(c2ccn3ncc(C(=O)NS(=O)(=O)C(C)(C)C)c3c2)C1.
What is the InChIKey of N-tert-butylsulfonyl-5-[(2R,4S)-2-(6-fluoro-1,3-benzodioxol-4-yl)-4-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is CSENEJXRZBVTPW-IFXJQAMLSA-N. The full InChI is InChI=1S/C24H27FN4O5S/c1-14-7-19(17-8-15(25)9-21-22(17)34-13-33-21)28(12-14)16-5-6-29-20(10-16)18(11-26-29)23(30)27-35(31,32)24(2,3)4/h5-6,8-11,14,19H,7,12-13H2,1-4H3,(H,27,30)/t14-,19+/m0/s1.
What are the key properties of N-tert-butylsulfonyl-5-[(2R,4S)-2-(6-fluoro-1,3-benzodioxol-4-yl)-4-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
N-tert-butylsulfonyl-5-[(2R,4S)-2-(6-fluoro-1,3-benzodioxol-4-yl)-4-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 502.57 g/mol, XLogP of 3.65, 4 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,4S)-2-(6-fluoro-1,3-benzodioxol-4-yl)-4-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 134569999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).