2-[[(2S)-1-[6-oxo-5-(trifluoromethyl)diazinan-4-yl]pyrrolidin-2-yl]methoxy]-N-[4-(pyridin-2-ylamino)cyclohexyl]acetamide

C23H33F3N6O3 — CID 154825757

IUPAC2-[[(2S)-1-[6-oxo-5-(trifluoromethyl)diazinan-4-yl]pyrrolidin-2-yl]methoxy]-N-[4-(pyridin-2-ylamino)cyclohexyl]acetamide
SMILESO=C(COC[C@@H]1CCCN1C1CNNC(=O)C1C(F)(F)F)NC1CCC(Nc2ccccn2)CC1
InChIInChI=1S/C23H33F3N6O3/c24-23(25,26)21-18(12-28-31-22(21)34)32-11-3-4-17(32)13-35-14-20(33)30-16-8-6-15(7-9-16)29-19-5-1-2-10-27-19/h1-2,5,10,15-18,21,28H,3-4,6-9,11-14H2,(H,27,29)(H,30,33)(H,31,34)/t15?,16?,17-,18?,21?/m0/s1
InChIKeyWKPWAFLEGFSKME-CHMNLVMASA-N
MW498.55 g/mol
LogP1.58
Rot. Bonds8

About 2-[[(2S)-1-[6-oxo-5-(trifluoromethyl)diazinan-4-yl]pyrrolidin-2-yl]methoxy]-N-[4-(pyridin-2-ylamino)cyclohexyl]acetamide

2-[[(2S)-1-[6-oxo-5-(trifluoromethyl)diazinan-4-yl]pyrrolidin-2-yl]methoxy]-N-[4-(pyridin-2-ylamino)cyclohexyl]acetamide (PubChem CID 154825757) has the molecular formula C23H33F3N6O3 and a molecular weight of 498.55 g/mol. Its IUPAC name is 2-[[(2S)-1-[6-oxo-5-(trifluoromethyl)diazinan-4-yl]pyrrolidin-2-yl]methoxy]-N-[4-(pyridin-2-ylamino)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-[[(2S)-1-[6-oxo-5-(trifluoromethyl)diazinan-4-yl]pyrrolidin-2-yl]methoxy]-N-[4-(pyridin-2-ylamino)cyclohexyl]acetamide
PubChem CID154825757
Molecular FormulaC23H33F3N6O3
Molecular Weight498.55 g/mol
Exact Mass498.26
IUPAC Name2-[[(2S)-1-[6-oxo-5-(trifluoromethyl)diazinan-4-yl]pyrrolidin-2-yl]methoxy]-N-[4-(pyridin-2-ylamino)cyclohexyl]acetamide
SMILESO=C(COC[C@@H]1CCCN1C1CNNC(=O)C1C(F)(F)F)NC1CCC(Nc2ccccn2)CC1
InChIInChI=1S/C23H33F3N6O3/c24-23(25,26)21-18(12-28-31-22(21)34)32-11-3-4-17(32)13-35-14-20(33)30-16-8-6-15(7-9-16)29-19-5-1-2-10-27-19/h1-2,5,10,15-18,21,28H,3-4,6-9,11-14H2,(H,27,29)(H,30,33)(H,31,34)/t15?,16?,17-,18?,21?/m0/s1
InChIKeyWKPWAFLEGFSKME-CHMNLVMASA-N
XLogP1.58
TPSA107.62 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.55
LogP ≤ 51.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-[[(2S)-1-[6-oxo-5-(trifluoromethyl)diazinan-4-yl]pyrrolidin-2-yl]methoxy]-N-[4-(pyridin-2-ylamino)cyclohexyl]acetamide with MolForge

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Related Compounds

US10550105, Example 57A
CID 154825728
US10550105, Example 57B
CID 154825729
US10550105, Example 57C
CID 154825730
US10550105, Example 57D
CID 154825731
US10550105, Example 76
CID 154825752
US10550105, Example 77
CID 154825753
US10550105, Example 78
CID 154825754
US10550105, Example 81A
CID 154825758
US10550105, Example 82A
CID 154825759
US10550105, Example 88
CID 154825765
US10550105, Example 90
CID 154825767
US10550105, Example 94A
CID 154825772

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-1-[6-oxo-5-(trifluoromethyl)diazinan-4-yl]pyrrolidin-2-yl]methoxy]-N-[4-(pyridin-2-ylamino)cyclohexyl]acetamide?
The IUPAC name of 2-[[(2S)-1-[6-oxo-5-(trifluoromethyl)diazinan-4-yl]pyrrolidin-2-yl]methoxy]-N-[4-(pyridin-2-ylamino)cyclohexyl]acetamide (CID 154825757) is 2-[[(2S)-1-[6-oxo-5-(trifluoromethyl)diazinan-4-yl]pyrrolidin-2-yl]methoxy]-N-[4-(pyridin-2-ylamino)cyclohexyl]acetamide.
What is the SMILES notation for 2-[[(2S)-1-[6-oxo-5-(trifluoromethyl)diazinan-4-yl]pyrrolidin-2-yl]methoxy]-N-[4-(pyridin-2-ylamino)cyclohexyl]acetamide?
The canonical SMILES for 2-[[(2S)-1-[6-oxo-5-(trifluoromethyl)diazinan-4-yl]pyrrolidin-2-yl]methoxy]-N-[4-(pyridin-2-ylamino)cyclohexyl]acetamide is O=C(COC[C@@H]1CCCN1C1CNNC(=O)C1C(F)(F)F)NC1CCC(Nc2ccccn2)CC1.
What is the InChIKey of 2-[[(2S)-1-[6-oxo-5-(trifluoromethyl)diazinan-4-yl]pyrrolidin-2-yl]methoxy]-N-[4-(pyridin-2-ylamino)cyclohexyl]acetamide?
The InChIKey is WKPWAFLEGFSKME-CHMNLVMASA-N. The full InChI is InChI=1S/C23H33F3N6O3/c24-23(25,26)21-18(12-28-31-22(21)34)32-11-3-4-17(32)13-35-14-20(33)30-16-8-6-15(7-9-16)29-19-5-1-2-10-27-19/h1-2,5,10,15-18,21,28H,3-4,6-9,11-14H2,(H,27,29)(H,30,33)(H,31,34)/t15?,16?,17-,18?,21?/m0/s1.
What are the key properties of 2-[[(2S)-1-[6-oxo-5-(trifluoromethyl)diazinan-4-yl]pyrrolidin-2-yl]methoxy]-N-[4-(pyridin-2-ylamino)cyclohexyl]acetamide?
2-[[(2S)-1-[6-oxo-5-(trifluoromethyl)diazinan-4-yl]pyrrolidin-2-yl]methoxy]-N-[4-(pyridin-2-ylamino)cyclohexyl]acetamide has a molecular weight of 498.55 g/mol, XLogP of 1.58, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-1-[6-oxo-5-(trifluoromethyl)diazinan-4-yl]pyrrolidin-2-yl]methoxy]-N-[4-(pyridin-2-ylamino)cyclohexyl]acetamide is sourced from PubChem (CID 154825757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).