N-[4-(cyclopentylamino)cyclohexyl]-2-[(2R,3R,4R,5R)-3-hydroxy-4-methyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]acetamide

C24H36F3N5O3 — CID 171558383

IUPACN-[4-(cyclopentylamino)cyclohexyl]-2-[(2R,3R,4R,5R)-3-hydroxy-4-methyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]acetamide
SMILESC[C@H]1[C@@H](O)[C@@H](CC(=O)NC2CCC(NC3CCCC3)CC2)OC[C@@H]1Nc1cncc(C(F)(F)F)n1
InChIInChI=1S/C24H36F3N5O3/c1-14-18(31-21-12-28-11-20(32-21)24(25,26)27)13-35-19(23(14)34)10-22(33)30-17-8-6-16(7-9-17)29-15-4-2-3-5-15/h11-12,14-19,23,29,34H,2-10,13H2,1H3,(H,30,33)(H,31,32)/t14-,16?,17?,18+,19-,23-/m1/s1
InChIKeyWUGPAYSXUMUATG-MCSDVEKZSA-N
MW499.58 g/mol
LogP3.02
Rot. Bonds7

About N-[4-(cyclopentylamino)cyclohexyl]-2-[(2R,3R,4R,5R)-3-hydroxy-4-methyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]acetamide

N-[4-(cyclopentylamino)cyclohexyl]-2-[(2R,3R,4R,5R)-3-hydroxy-4-methyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]acetamide (PubChem CID 171558383) has the molecular formula C24H36F3N5O3 and a molecular weight of 499.58 g/mol. Its IUPAC name is N-[4-(cyclopentylamino)cyclohexyl]-2-[(2R,3R,4R,5R)-3-hydroxy-4-methyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-(cyclopentylamino)cyclohexyl]-2-[(2R,3R,4R,5R)-3-hydroxy-4-methyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]acetamide
PubChem CID171558383
Molecular FormulaC24H36F3N5O3
Molecular Weight499.58 g/mol
Exact Mass499.28
IUPAC NameN-[4-(cyclopentylamino)cyclohexyl]-2-[(2R,3R,4R,5R)-3-hydroxy-4-methyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]acetamide
SMILESC[C@H]1[C@@H](O)[C@@H](CC(=O)NC2CCC(NC3CCCC3)CC2)OC[C@@H]1Nc1cncc(C(F)(F)F)n1
InChIInChI=1S/C24H36F3N5O3/c1-14-18(31-21-12-28-11-20(32-21)24(25,26)27)13-35-19(23(14)34)10-22(33)30-17-8-6-16(7-9-17)29-15-4-2-3-5-15/h11-12,14-19,23,29,34H,2-10,13H2,1H3,(H,30,33)(H,31,32)/t14-,16?,17?,18+,19-,23-/m1/s1
InChIKeyWUGPAYSXUMUATG-MCSDVEKZSA-N
XLogP3.02
TPSA108.40 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.58
LogP ≤ 53.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze N-[4-(cyclopentylamino)cyclohexyl]-2-[(2R,3R,4R,5R)-3-hydroxy-4-methyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopentylamino)cyclohexyl]-2-[(2R,3R,4R,5R)-3-hydroxy-4-methyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]acetamide?
The IUPAC name of N-[4-(cyclopentylamino)cyclohexyl]-2-[(2R,3R,4R,5R)-3-hydroxy-4-methyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]acetamide (CID 171558383) is N-[4-(cyclopentylamino)cyclohexyl]-2-[(2R,3R,4R,5R)-3-hydroxy-4-methyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]acetamide.
What is the SMILES notation for N-[4-(cyclopentylamino)cyclohexyl]-2-[(2R,3R,4R,5R)-3-hydroxy-4-methyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]acetamide?
The canonical SMILES for N-[4-(cyclopentylamino)cyclohexyl]-2-[(2R,3R,4R,5R)-3-hydroxy-4-methyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]acetamide is C[C@H]1[C@@H](O)[C@@H](CC(=O)NC2CCC(NC3CCCC3)CC2)OC[C@@H]1Nc1cncc(C(F)(F)F)n1.
What is the InChIKey of N-[4-(cyclopentylamino)cyclohexyl]-2-[(2R,3R,4R,5R)-3-hydroxy-4-methyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]acetamide?
The InChIKey is WUGPAYSXUMUATG-MCSDVEKZSA-N. The full InChI is InChI=1S/C24H36F3N5O3/c1-14-18(31-21-12-28-11-20(32-21)24(25,26)27)13-35-19(23(14)34)10-22(33)30-17-8-6-16(7-9-17)29-15-4-2-3-5-15/h11-12,14-19,23,29,34H,2-10,13H2,1H3,(H,30,33)(H,31,32)/t14-,16?,17?,18+,19-,23-/m1/s1.
What are the key properties of N-[4-(cyclopentylamino)cyclohexyl]-2-[(2R,3R,4R,5R)-3-hydroxy-4-methyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]acetamide?
N-[4-(cyclopentylamino)cyclohexyl]-2-[(2R,3R,4R,5R)-3-hydroxy-4-methyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]acetamide has a molecular weight of 499.58 g/mol, XLogP of 3.02, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopentylamino)cyclohexyl]-2-[(2R,3R,4R,5R)-3-hydroxy-4-methyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]acetamide is sourced from PubChem (CID 171558383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).