acetic acid;5-[4-[(2R,5S)-5-[(4-bromophenyl)methyl]-2-(fluoromethyl)morpholin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine;(2R,5S)-5-[(4-bromophenyl)methyl]-2-(fluoromethyl)-4-piperidin-4-ylmorpholine;dihydrochloride

C39H57Br2Cl2F2N7O4 — CID 159586309

IUPACacetic acid;5-[4-[(2R,5S)-5-[(4-bromophenyl)methyl]-2-(fluoromethyl)morpholin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine;(2R,5S)-5-[(4-bromophenyl)methyl]-2-(fluoromethyl)-4-piperidin-4-ylmorpholine;dihydrochloride
SMILESCC(=O)O.Cl.Cl.FC[C@H]1CN(C2CCNCC2)[C@@H](Cc2ccc(Br)cc2)CO1.NC1=NN=C(N2CCC(N3C[C@H](CF)OC[C@@H]3Cc3ccc(Br)cc3)CC2)C1
InChIInChI=1S/C20H27BrFN5O.C17H24BrFN2O.C2H4O2.2ClH/c21-15-3-1-14(2-4-15)9-17-13-28-18(11-22)12-27(17)16-5-7-26(8-6-16)20-10-19(23)24-25-20;18-14-3-1-13(2-4-14)9-16-12-22-17(10-19)11-21(16)15-5-7-20-8-6-15;1-2(3)4;;/h1-4,16-18H,5-13H2,(H2,23,24);1-4,15-17,20H,5-12H2;1H3,(H,3,4);2*1H/t17-,18-;16-,17-;;;/m00.../s1
InChIKeyFZUDNKYGSHOKHK-DDIHMUOMSA-N
MW956.64 g/mol
LogP6.29
Rot. Bonds8

About acetic acid;5-[4-[(2R,5S)-5-[(4-bromophenyl)methyl]-2-(fluoromethyl)morpholin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine;(2R,5S)-5-[(4-bromophenyl)methyl]-2-(fluoromethyl)-4-piperidin-4-ylmorpholine;dihydrochloride

acetic acid;5-[4-[(2R,5S)-5-[(4-bromophenyl)methyl]-2-(fluoromethyl)morpholin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine;(2R,5S)-5-[(4-bromophenyl)methyl]-2-(fluoromethyl)-4-piperidin-4-ylmorpholine;dihydrochloride (PubChem CID 159586309) has the molecular formula C39H57Br2Cl2F2N7O4 and a molecular weight of 956.64 g/mol. Its IUPAC name is acetic acid;5-[4-[(2R,5S)-5-[(4-bromophenyl)methyl]-2-(fluoromethyl)morpholin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine;(2R,5S)-5-[(4-bromophenyl)methyl]-2-(fluoromethyl)-4-piperidin-4-ylmorpholine;dihydrochloride.

Molecular Properties

Compound Nameacetic acid;5-[4-[(2R,5S)-5-[(4-bromophenyl)methyl]-2-(fluoromethyl)morpholin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine;(2R,5S)-5-[(4-bromophenyl)methyl]-2-(fluoromethyl)-4-piperidin-4-ylmorpholine;dihydrochloride
PubChem CID159586309
Molecular FormulaC39H57Br2Cl2F2N7O4
Molecular Weight956.64 g/mol
Exact Mass953.22
IUPAC Nameacetic acid;5-[4-[(2R,5S)-5-[(4-bromophenyl)methyl]-2-(fluoromethyl)morpholin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine;(2R,5S)-5-[(4-bromophenyl)methyl]-2-(fluoromethyl)-4-piperidin-4-ylmorpholine;dihydrochloride
SMILESCC(=O)O.Cl.Cl.FC[C@H]1CN(C2CCNCC2)[C@@H](Cc2ccc(Br)cc2)CO1.NC1=NN=C(N2CCC(N3C[C@H](CF)OC[C@@H]3Cc3ccc(Br)cc3)CC2)C1
InChIInChI=1S/C20H27BrFN5O.C17H24BrFN2O.C2H4O2.2ClH/c21-15-3-1-14(2-4-15)9-17-13-28-18(11-22)12-27(17)16-5-7-26(8-6-16)20-10-19(23)24-25-20;18-14-3-1-13(2-4-14)9-16-12-22-17(10-19)11-21(16)15-5-7-20-8-6-15;1-2(3)4;;/h1-4,16-18H,5-13H2,(H2,23,24);1-4,15-17,20H,5-12H2;1H3,(H,3,4);2*1H/t17-,18-;16-,17-;;;/m00.../s1
InChIKeyFZUDNKYGSHOKHK-DDIHMUOMSA-N
XLogP6.29
TPSA128.25 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500956.64
LogP ≤ 56.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze acetic acid;5-[4-[(2R,5S)-5-[(4-bromophenyl)methyl]-2-(fluoromethyl)morpholin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine;(2R,5S)-5-[(4-bromophenyl)methyl]-2-(fluoromethyl)-4-piperidin-4-ylmorpholine;dihydrochloride 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

(2R,5S)-5-[(4-bromophenyl)methyl]-2-(fluoromethyl)-4-piperidin-4-ylmorpholine;dihydrochloride
CID 155766001
acetic acid;5-[4-[(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(2,2,2-trifluoroethoxymethyl)morpholin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine
CID 161242519
acetic acid;5-[4-[(2S,5S)-5-[(4-chlorophenyl)methyl]-2-[(3,3-difluoropyrrolidin-1-yl)methyl]morpholin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine
CID 159721797
acetic acid;3-[4-[(2S,5S)-5-[(4-bromophenyl)methyl]-2-methylmorpholin-4-yl]piperidin-1-yl]-1H-1,2,4-triazol-5-amine;(2S,5S)-5-[(4-bromophenyl)methyl]-2-methyl-4-piperidin-4-ylmorpholine;hydrochloride
CID 158862317
acetic acid;1-[(2R,5S)-4-[1-(5-amino-4H-pyrazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]morpholin-2-yl]-4,4-difluorobutan-1-one
CID 158383470
acetic acid;5-[4-[(3S,8aS)-7,7-difluoro-3-[(4-methylphenyl)methyl]-1,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl]piperidin-1-yl]-4H-pyrazol-3-amine;[(2R,5S)-4-[1-(5-amino-4H-pyrazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]morpholin-2-yl]methanol;5-[4-[(2R,5S)-5-[(4-bromophenyl)methyl]-2-(fluoromethyl)morpholin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[(2S,5S)-5-[(4-bromophenyl)methyl]-2-methylmorpholin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[(6S)-6-[(4-methylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]piperidin-1-yl]-4H-pyrazol-3-amine
CID 159147830
acetic acid;[(2R,5S)-4-[1-(5-amino-4H-pyrazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]morpholin-2-yl]-(3-methylazetidin-1-yl)methanone
CID 158666507
5-[4-[(2R)-5-[(4-chlorophenyl)methyl]-2-methylmorpholin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine
CID 157057863
5-[4-[(2R,5R)-5-[(4-chlorophenyl)methyl]-2-methylmorpholin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine
CID 159429680
1-[(2R)-4-[1-(5-amino-4H-pyrazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]morpholin-2-yl]propan-1-one
CID 148552003
[(2R,5S)-4-[1-(5-amino-4H-pyrazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]morpholin-2-yl]-(3-fluoroazetidin-1-yl)methanone
CID 158284480
1-[1-(5-amino-4H-pyrazol-3-yl)piperidin-4-yl]-6-[(4-chlorophenyl)methyl]piperidine-3-carboxylic acid
CID 161182588

Frequently Asked Questions

What is the IUPAC name of acetic acid;5-[4-[(2R,5S)-5-[(4-bromophenyl)methyl]-2-(fluoromethyl)morpholin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine;(2R,5S)-5-[(4-bromophenyl)methyl]-2-(fluoromethyl)-4-piperidin-4-ylmorpholine;dihydrochloride?
The IUPAC name of acetic acid;5-[4-[(2R,5S)-5-[(4-bromophenyl)methyl]-2-(fluoromethyl)morpholin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine;(2R,5S)-5-[(4-bromophenyl)methyl]-2-(fluoromethyl)-4-piperidin-4-ylmorpholine;dihydrochloride (CID 159586309) is acetic acid;5-[4-[(2R,5S)-5-[(4-bromophenyl)methyl]-2-(fluoromethyl)morpholin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine;(2R,5S)-5-[(4-bromophenyl)methyl]-2-(fluoromethyl)-4-piperidin-4-ylmorpholine;dihydrochloride.
What is the SMILES notation for acetic acid;5-[4-[(2R,5S)-5-[(4-bromophenyl)methyl]-2-(fluoromethyl)morpholin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine;(2R,5S)-5-[(4-bromophenyl)methyl]-2-(fluoromethyl)-4-piperidin-4-ylmorpholine;dihydrochloride?
The canonical SMILES for acetic acid;5-[4-[(2R,5S)-5-[(4-bromophenyl)methyl]-2-(fluoromethyl)morpholin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine;(2R,5S)-5-[(4-bromophenyl)methyl]-2-(fluoromethyl)-4-piperidin-4-ylmorpholine;dihydrochloride is CC(=O)O.Cl.Cl.FC[C@H]1CN(C2CCNCC2)[C@@H](Cc2ccc(Br)cc2)CO1.NC1=NN=C(N2CCC(N3C[C@H](CF)OC[C@@H]3Cc3ccc(Br)cc3)CC2)C1.
What is the InChIKey of acetic acid;5-[4-[(2R,5S)-5-[(4-bromophenyl)methyl]-2-(fluoromethyl)morpholin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine;(2R,5S)-5-[(4-bromophenyl)methyl]-2-(fluoromethyl)-4-piperidin-4-ylmorpholine;dihydrochloride?
The InChIKey is FZUDNKYGSHOKHK-DDIHMUOMSA-N. The full InChI is InChI=1S/C20H27BrFN5O.C17H24BrFN2O.C2H4O2.2ClH/c21-15-3-1-14(2-4-15)9-17-13-28-18(11-22)12-27(17)16-5-7-26(8-6-16)20-10-19(23)24-25-20;18-14-3-1-13(2-4-14)9-16-12-22-17(10-19)11-21(16)15-5-7-20-8-6-15;1-2(3)4;;/h1-4,16-18H,5-13H2,(H2,23,24);1-4,15-17,20H,5-12H2;1H3,(H,3,4);2*1H/t17-,18-;16-,17-;;;/m00.../s1.
What are the key properties of acetic acid;5-[4-[(2R,5S)-5-[(4-bromophenyl)methyl]-2-(fluoromethyl)morpholin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine;(2R,5S)-5-[(4-bromophenyl)methyl]-2-(fluoromethyl)-4-piperidin-4-ylmorpholine;dihydrochloride?
acetic acid;5-[4-[(2R,5S)-5-[(4-bromophenyl)methyl]-2-(fluoromethyl)morpholin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine;(2R,5S)-5-[(4-bromophenyl)methyl]-2-(fluoromethyl)-4-piperidin-4-ylmorpholine;dihydrochloride has a molecular weight of 956.64 g/mol, XLogP of 6.29, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;5-[4-[(2R,5S)-5-[(4-bromophenyl)methyl]-2-(fluoromethyl)morpholin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine;(2R,5S)-5-[(4-bromophenyl)methyl]-2-(fluoromethyl)-4-piperidin-4-ylmorpholine;dihydrochloride is sourced from PubChem (CID 159586309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).