6-[4-[3-[(1R,2R)-2-[6-oxo-5-(trifluoromethyl)diazinan-4-yl]oxycyclopentyl]oxypropanoyl]piperazin-1-yl]pyridine-3-carbonitrile

C23H29F3N6O4 — CID 154826285

IUPAC6-[4-[3-[(1R,2R)-2-[6-oxo-5-(trifluoromethyl)diazinan-4-yl]oxycyclopentyl]oxypropanoyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCN(C(=O)CCO[C@@H]3CCC[C@H]3OC3CNNC(=O)C3C(F)(F)F)CC2)nc1
InChIInChI=1S/C23H29F3N6O4/c24-23(25,26)21-18(14-29-30-22(21)34)36-17-3-1-2-16(17)35-11-6-20(33)32-9-7-31(8-10-32)19-5-4-15(12-27)13-28-19/h4-5,13,16-18,21,29H,1-3,6-11,14H2,(H,30,34)/t16-,17-,18?,21?/m1/s1
InChIKeyKORPDHDIOPROAP-WVNPWQTNSA-N
MW510.52 g/mol
LogP1.13
Rot. Bonds7

About 6-[4-[3-[(1R,2R)-2-[6-oxo-5-(trifluoromethyl)diazinan-4-yl]oxycyclopentyl]oxypropanoyl]piperazin-1-yl]pyridine-3-carbonitrile

6-[4-[3-[(1R,2R)-2-[6-oxo-5-(trifluoromethyl)diazinan-4-yl]oxycyclopentyl]oxypropanoyl]piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 154826285) has the molecular formula C23H29F3N6O4 and a molecular weight of 510.52 g/mol. Its IUPAC name is 6-[4-[3-[(1R,2R)-2-[6-oxo-5-(trifluoromethyl)diazinan-4-yl]oxycyclopentyl]oxypropanoyl]piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-[3-[(1R,2R)-2-[6-oxo-5-(trifluoromethyl)diazinan-4-yl]oxycyclopentyl]oxypropanoyl]piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID154826285
Molecular FormulaC23H29F3N6O4
Molecular Weight510.52 g/mol
Exact Mass510.22
IUPAC Name6-[4-[3-[(1R,2R)-2-[6-oxo-5-(trifluoromethyl)diazinan-4-yl]oxycyclopentyl]oxypropanoyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCN(C(=O)CCO[C@@H]3CCC[C@H]3OC3CNNC(=O)C3C(F)(F)F)CC2)nc1
InChIInChI=1S/C23H29F3N6O4/c24-23(25,26)21-18(14-29-30-22(21)34)36-17-3-1-2-16(17)35-11-6-20(33)32-9-7-31(8-10-32)19-5-4-15(12-27)13-28-19/h4-5,13,16-18,21,29H,1-3,6-11,14H2,(H,30,34)/t16-,17-,18?,21?/m1/s1
InChIKeyKORPDHDIOPROAP-WVNPWQTNSA-N
XLogP1.13
TPSA119.82 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.52
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-[4-[3-[(1R,2R)-2-[6-oxo-5-(trifluoromethyl)diazinan-4-yl]oxycyclopentyl]oxypropanoyl]piperazin-1-yl]pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[4-[3-[methyl-[2-[6-oxo-5-(trifluoromethyl)diazinan-4-yl]oxyethyl]amino]propanoyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 154826191
6-[4-[2-[3-[6-oxo-5-(trifluoromethyl)diazinan-4-yl]oxypropoxy]acetyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 154826192
6-[4-[3-[2-[[6-oxo-5-(trifluoromethyl)diazinan-4-yl]amino]ethoxy]propanoyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 154826173
6-[4-[3-[(2R)-2-[[6-oxo-5-(trifluoromethyl)diazinan-4-yl]amino]-2-phenylethoxy]propanoyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 154826187
6-[4-[3-[(2S)-2-(5-bromo-6-oxodiazinan-4-yl)oxypropoxy]propanoyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 154826390
6-[4-(3-hydroxypropanoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 153358087
6-[4-[2-[(2S,5R)-5-[(5-chloro-6-oxodiazinan-4-yl)oxymethyl]oxolan-2-yl]acetyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 154826313
6-[4-[3-[[1-[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]piperidin-2-yl]methoxy]propanoyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 146219152
6-[4-[4-[[(2S)-1-[6-oxo-5-(trifluoromethyl)diazinan-4-yl]pyrrolidin-2-yl]methoxy]pyridine-2-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 154825749
6-[4-[3-[[(1R)-2-(5-chloro-6-oxodiazinan-4-yl)-1,3-dihydroisoindol-1-yl]methoxy]propanoyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 154826087
4-[(2S)-2-[[3-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]-3-oxopropoxy]methyl]pyrrolidin-1-yl]-6-oxo-1H-pyridazine-5-carbonitrile
CID 146218972
6-[4-[2-(2,2,2-trifluoroethoxy)acetyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 56817691

Frequently Asked Questions

What is the IUPAC name of 6-[4-[3-[(1R,2R)-2-[6-oxo-5-(trifluoromethyl)diazinan-4-yl]oxycyclopentyl]oxypropanoyl]piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-[3-[(1R,2R)-2-[6-oxo-5-(trifluoromethyl)diazinan-4-yl]oxycyclopentyl]oxypropanoyl]piperazin-1-yl]pyridine-3-carbonitrile (CID 154826285) is 6-[4-[3-[(1R,2R)-2-[6-oxo-5-(trifluoromethyl)diazinan-4-yl]oxycyclopentyl]oxypropanoyl]piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-[3-[(1R,2R)-2-[6-oxo-5-(trifluoromethyl)diazinan-4-yl]oxycyclopentyl]oxypropanoyl]piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-[3-[(1R,2R)-2-[6-oxo-5-(trifluoromethyl)diazinan-4-yl]oxycyclopentyl]oxypropanoyl]piperazin-1-yl]pyridine-3-carbonitrile is N#Cc1ccc(N2CCN(C(=O)CCO[C@@H]3CCC[C@H]3OC3CNNC(=O)C3C(F)(F)F)CC2)nc1.
What is the InChIKey of 6-[4-[3-[(1R,2R)-2-[6-oxo-5-(trifluoromethyl)diazinan-4-yl]oxycyclopentyl]oxypropanoyl]piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is KORPDHDIOPROAP-WVNPWQTNSA-N. The full InChI is InChI=1S/C23H29F3N6O4/c24-23(25,26)21-18(14-29-30-22(21)34)36-17-3-1-2-16(17)35-11-6-20(33)32-9-7-31(8-10-32)19-5-4-15(12-27)13-28-19/h4-5,13,16-18,21,29H,1-3,6-11,14H2,(H,30,34)/t16-,17-,18?,21?/m1/s1.
What are the key properties of 6-[4-[3-[(1R,2R)-2-[6-oxo-5-(trifluoromethyl)diazinan-4-yl]oxycyclopentyl]oxypropanoyl]piperazin-1-yl]pyridine-3-carbonitrile?
6-[4-[3-[(1R,2R)-2-[6-oxo-5-(trifluoromethyl)diazinan-4-yl]oxycyclopentyl]oxypropanoyl]piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 510.52 g/mol, XLogP of 1.13, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[3-[(1R,2R)-2-[6-oxo-5-(trifluoromethyl)diazinan-4-yl]oxycyclopentyl]oxypropanoyl]piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 154826285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).