4-[1-[[(3R)-3-methyl-4-[4-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]sulfonylpiperazin-1-yl]methyl]cyclopropyl]pyridine-2-carboxamide

C24H29F3N4O4S — CID 59701152

IUPAC4-[1-[[(3R)-3-methyl-4-[4-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]sulfonylpiperazin-1-yl]methyl]cyclopropyl]pyridine-2-carboxamide
SMILESC[C@@H]1CN(CC2(c3ccnc(C(N)=O)c3)CC2)CCN1S(=O)(=O)c1ccc([C@@](C)(O)C(F)(F)F)cc1
InChIInChI=1S/C24H29F3N4O4S/c1-16-14-30(15-23(8-9-23)18-7-10-29-20(13-18)21(28)32)11-12-31(16)36(34,35)19-5-3-17(4-6-19)22(2,33)24(25,26)27/h3-7,10,13,16,33H,8-9,11-12,14-15H2,1-2H3,(H2,28,32)/t16-,22-/m1/s1
InChIKeyYPIQEMBBAMXHLR-OPAMFIHVSA-N
MW526.58 g/mol
LogP2.38
Rot. Bonds7

About 4-[1-[[(3R)-3-methyl-4-[4-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]sulfonylpiperazin-1-yl]methyl]cyclopropyl]pyridine-2-carboxamide

4-[1-[[(3R)-3-methyl-4-[4-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]sulfonylpiperazin-1-yl]methyl]cyclopropyl]pyridine-2-carboxamide (PubChem CID 59701152) has the molecular formula C24H29F3N4O4S and a molecular weight of 526.58 g/mol. Its IUPAC name is 4-[1-[[(3R)-3-methyl-4-[4-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]sulfonylpiperazin-1-yl]methyl]cyclopropyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[1-[[(3R)-3-methyl-4-[4-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]sulfonylpiperazin-1-yl]methyl]cyclopropyl]pyridine-2-carboxamide
PubChem CID59701152
Molecular FormulaC24H29F3N4O4S
Molecular Weight526.58 g/mol
Exact Mass526.19
IUPAC Name4-[1-[[(3R)-3-methyl-4-[4-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]sulfonylpiperazin-1-yl]methyl]cyclopropyl]pyridine-2-carboxamide
SMILESC[C@@H]1CN(CC2(c3ccnc(C(N)=O)c3)CC2)CCN1S(=O)(=O)c1ccc([C@@](C)(O)C(F)(F)F)cc1
InChIInChI=1S/C24H29F3N4O4S/c1-16-14-30(15-23(8-9-23)18-7-10-29-20(13-18)21(28)32)11-12-31(16)36(34,35)19-5-3-17(4-6-19)22(2,33)24(25,26)27/h3-7,10,13,16,33H,8-9,11-12,14-15H2,1-2H3,(H2,28,32)/t16-,22-/m1/s1
InChIKeyYPIQEMBBAMXHLR-OPAMFIHVSA-N
XLogP2.38
TPSA116.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.58
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[1-[[(3R)-3-methyl-4-[4-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]sulfonylpiperazin-1-yl]methyl]cyclopropyl]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[[(3R)-3-methyl-4-[4-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]sulfonylpiperazin-1-yl]methyl]cyclopropyl]pyridine-2-carboxamide?
The IUPAC name of 4-[1-[[(3R)-3-methyl-4-[4-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]sulfonylpiperazin-1-yl]methyl]cyclopropyl]pyridine-2-carboxamide (CID 59701152) is 4-[1-[[(3R)-3-methyl-4-[4-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]sulfonylpiperazin-1-yl]methyl]cyclopropyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[1-[[(3R)-3-methyl-4-[4-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]sulfonylpiperazin-1-yl]methyl]cyclopropyl]pyridine-2-carboxamide?
The canonical SMILES for 4-[1-[[(3R)-3-methyl-4-[4-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]sulfonylpiperazin-1-yl]methyl]cyclopropyl]pyridine-2-carboxamide is C[C@@H]1CN(CC2(c3ccnc(C(N)=O)c3)CC2)CCN1S(=O)(=O)c1ccc([C@@](C)(O)C(F)(F)F)cc1.
What is the InChIKey of 4-[1-[[(3R)-3-methyl-4-[4-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]sulfonylpiperazin-1-yl]methyl]cyclopropyl]pyridine-2-carboxamide?
The InChIKey is YPIQEMBBAMXHLR-OPAMFIHVSA-N. The full InChI is InChI=1S/C24H29F3N4O4S/c1-16-14-30(15-23(8-9-23)18-7-10-29-20(13-18)21(28)32)11-12-31(16)36(34,35)19-5-3-17(4-6-19)22(2,33)24(25,26)27/h3-7,10,13,16,33H,8-9,11-12,14-15H2,1-2H3,(H2,28,32)/t16-,22-/m1/s1.
What are the key properties of 4-[1-[[(3R)-3-methyl-4-[4-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]sulfonylpiperazin-1-yl]methyl]cyclopropyl]pyridine-2-carboxamide?
4-[1-[[(3R)-3-methyl-4-[4-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]sulfonylpiperazin-1-yl]methyl]cyclopropyl]pyridine-2-carboxamide has a molecular weight of 526.58 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[(3R)-3-methyl-4-[4-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]sulfonylpiperazin-1-yl]methyl]cyclopropyl]pyridine-2-carboxamide is sourced from PubChem (CID 59701152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).