(1S,2S,4S)-N-(1-cyanocyclopropyl)-2-methoxy-4-[4-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-2-(trifluoromethyl)phenyl]sulfonylcyclopentane-1-carboxamide

C24H26F3N5O5S — CID 59619215

IUPAC(1S,2S,4S)-N-(1-cyanocyclopropyl)-2-methoxy-4-[4-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-2-(trifluoromethyl)phenyl]sulfonylcyclopentane-1-carboxamide
SMILESCNC(=O)Cn1cc(-c2ccc(S(=O)(=O)[C@@H]3C[C@H](OC)[C@@H](C(=O)NC4(C#N)CC4)C3)c(C(F)(F)F)c2)cn1
InChIInChI=1S/C24H26F3N5O5S/c1-29-21(33)12-32-11-15(10-30-32)14-3-4-20(18(7-14)24(25,26)27)38(35,36)16-8-17(19(9-16)37-2)22(34)31-23(13-28)5-6-23/h3-4,7,10-11,16-17,19H,5-6,8-9,12H2,1-2H3,(H,29,33)(H,31,34)/t16-,17-,19-/m0/s1
InChIKeySRDPRLSMLCZCJT-LNLFQRSKSA-N
MW553.56 g/mol
LogP2.05
Rot. Bonds8

About (1S,2S,4S)-N-(1-cyanocyclopropyl)-2-methoxy-4-[4-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-2-(trifluoromethyl)phenyl]sulfonylcyclopentane-1-carboxamide

(1S,2S,4S)-N-(1-cyanocyclopropyl)-2-methoxy-4-[4-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-2-(trifluoromethyl)phenyl]sulfonylcyclopentane-1-carboxamide (PubChem CID 59619215) has the molecular formula C24H26F3N5O5S and a molecular weight of 553.56 g/mol. Its IUPAC name is (1S,2S,4S)-N-(1-cyanocyclopropyl)-2-methoxy-4-[4-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-2-(trifluoromethyl)phenyl]sulfonylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name(1S,2S,4S)-N-(1-cyanocyclopropyl)-2-methoxy-4-[4-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-2-(trifluoromethyl)phenyl]sulfonylcyclopentane-1-carboxamide
PubChem CID59619215
Molecular FormulaC24H26F3N5O5S
Molecular Weight553.56 g/mol
Exact Mass553.16
IUPAC Name(1S,2S,4S)-N-(1-cyanocyclopropyl)-2-methoxy-4-[4-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-2-(trifluoromethyl)phenyl]sulfonylcyclopentane-1-carboxamide
SMILESCNC(=O)Cn1cc(-c2ccc(S(=O)(=O)[C@@H]3C[C@H](OC)[C@@H](C(=O)NC4(C#N)CC4)C3)c(C(F)(F)F)c2)cn1
InChIInChI=1S/C24H26F3N5O5S/c1-29-21(33)12-32-11-15(10-30-32)14-3-4-20(18(7-14)24(25,26)27)38(35,36)16-8-17(19(9-16)37-2)22(34)31-23(13-28)5-6-23/h3-4,7,10-11,16-17,19H,5-6,8-9,12H2,1-2H3,(H,29,33)(H,31,34)/t16-,17-,19-/m0/s1
InChIKeySRDPRLSMLCZCJT-LNLFQRSKSA-N
XLogP2.05
TPSA143.18 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500553.56
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (1S,2S,4S)-N-(1-cyanocyclopropyl)-2-methoxy-4-[4-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-2-(trifluoromethyl)phenyl]sulfonylcyclopentane-1-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 (1S,2S,4S)-N-(1-cyanocyclopropyl)-2-methoxy-4-[4-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-2-(trifluoromethyl)phenyl]sulfonylcyclopentane-1-carboxamide?
The IUPAC name of (1S,2S,4S)-N-(1-cyanocyclopropyl)-2-methoxy-4-[4-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-2-(trifluoromethyl)phenyl]sulfonylcyclopentane-1-carboxamide (CID 59619215) is (1S,2S,4S)-N-(1-cyanocyclopropyl)-2-methoxy-4-[4-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-2-(trifluoromethyl)phenyl]sulfonylcyclopentane-1-carboxamide.
What is the SMILES notation for (1S,2S,4S)-N-(1-cyanocyclopropyl)-2-methoxy-4-[4-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-2-(trifluoromethyl)phenyl]sulfonylcyclopentane-1-carboxamide?
The canonical SMILES for (1S,2S,4S)-N-(1-cyanocyclopropyl)-2-methoxy-4-[4-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-2-(trifluoromethyl)phenyl]sulfonylcyclopentane-1-carboxamide is CNC(=O)Cn1cc(-c2ccc(S(=O)(=O)[C@@H]3C[C@H](OC)[C@@H](C(=O)NC4(C#N)CC4)C3)c(C(F)(F)F)c2)cn1.
What is the InChIKey of (1S,2S,4S)-N-(1-cyanocyclopropyl)-2-methoxy-4-[4-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-2-(trifluoromethyl)phenyl]sulfonylcyclopentane-1-carboxamide?
The InChIKey is SRDPRLSMLCZCJT-LNLFQRSKSA-N. The full InChI is InChI=1S/C24H26F3N5O5S/c1-29-21(33)12-32-11-15(10-30-32)14-3-4-20(18(7-14)24(25,26)27)38(35,36)16-8-17(19(9-16)37-2)22(34)31-23(13-28)5-6-23/h3-4,7,10-11,16-17,19H,5-6,8-9,12H2,1-2H3,(H,29,33)(H,31,34)/t16-,17-,19-/m0/s1.
What are the key properties of (1S,2S,4S)-N-(1-cyanocyclopropyl)-2-methoxy-4-[4-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-2-(trifluoromethyl)phenyl]sulfonylcyclopentane-1-carboxamide?
(1S,2S,4S)-N-(1-cyanocyclopropyl)-2-methoxy-4-[4-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-2-(trifluoromethyl)phenyl]sulfonylcyclopentane-1-carboxamide has a molecular weight of 553.56 g/mol, XLogP of 2.05, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4S)-N-(1-cyanocyclopropyl)-2-methoxy-4-[4-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-2-(trifluoromethyl)phenyl]sulfonylcyclopentane-1-carboxamide is sourced from PubChem (CID 59619215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).