N-[3,5-bis(trifluoromethyl)phenyl]-4-(3-pyridin-4-ylpyrazin-2-yl)piperazine-1-carboxamide

C22H18F6N6O — CID 88901819

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-4-(3-pyridin-4-ylpyrazin-2-yl)piperazine-1-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(c2nccnc2-c2ccncc2)CC1
InChIInChI=1S/C22H18F6N6O/c23-21(24,25)15-11-16(22(26,27)28)13-17(12-15)32-20(35)34-9-7-33(8-10-34)19-18(30-5-6-31-19)14-1-3-29-4-2-14/h1-6,11-13H,7-10H2,(H,32,35)
InChIKeyDYVFSGPNRGAEEL-UHFFFAOYSA-N
MW496.42 g/mol
LogP4.93
Rot. Bonds3

About N-[3,5-bis(trifluoromethyl)phenyl]-4-(3-pyridin-4-ylpyrazin-2-yl)piperazine-1-carboxamide

N-[3,5-bis(trifluoromethyl)phenyl]-4-(3-pyridin-4-ylpyrazin-2-yl)piperazine-1-carboxamide (PubChem CID 88901819) has the molecular formula C22H18F6N6O and a molecular weight of 496.42 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-4-(3-pyridin-4-ylpyrazin-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-4-(3-pyridin-4-ylpyrazin-2-yl)piperazine-1-carboxamide
PubChem CID88901819
Molecular FormulaC22H18F6N6O
Molecular Weight496.42 g/mol
Exact Mass496.14
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-4-(3-pyridin-4-ylpyrazin-2-yl)piperazine-1-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(c2nccnc2-c2ccncc2)CC1
InChIInChI=1S/C22H18F6N6O/c23-21(24,25)15-11-16(22(26,27)28)13-17(12-15)32-20(35)34-9-7-33(8-10-34)19-18(30-5-6-31-19)14-1-3-29-4-2-14/h1-6,11-13H,7-10H2,(H,32,35)
InChIKeyDYVFSGPNRGAEEL-UHFFFAOYSA-N
XLogP4.93
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.42
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3,5-bis(trifluoromethyl)phenyl]-4-(3-pyridin-4-ylpyrazin-2-yl)piperazine-1-carboxamide 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

N-[3,5-bis(trifluoromethyl)phenyl]-4-[3-(pyridin-4-ylmethoxy)pyrazin-2-yl]piperazine-1-carboxamide
CID 11756624
4-(3-fluoro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 10172493
N-[4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 11430023
N-[3,5-bis(trifluoromethyl)phenyl]-4-(4-chloro-1,2,5-thiadiazol-3-yl)piperazine-1-carboxamide
CID 59013796
N-[3,5-bis(trifluoromethyl)phenyl]-4-(6-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 122343039
N-[3,5-bis(trifluoromethyl)phenyl]-4-(2-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 122344066
N-[3,5-bis(trifluoromethyl)phenyl]-4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazine-1-carboxamide
CID 122347323
2-(4-buta-1,3-dien-2-ylpiperazin-1-yl)-3-[4-(trifluoromethyl)phenyl]pyrazine
CID 169204862
N-[3,5-bis(trifluoromethyl)phenyl]-4-(2-cyanophenyl)piperazine-1-carboxamide
CID 3799231
N-[3,5-bis(trifluoromethyl)phenyl]-4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carboxamide
CID 122336625
4-[3-[(2-aminopyrimidin-4-yl)methoxy]-6-chloro-2-pyridinyl]-N-[3,5-bis(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 59013781
4-[4-[(2-acetamido-4-pyridinyl)methoxy]-1,2,5-thiadiazol-3-yl]-N-[3,5-bis(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 10371177

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-4-(3-pyridin-4-ylpyrazin-2-yl)piperazine-1-carboxamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-4-(3-pyridin-4-ylpyrazin-2-yl)piperazine-1-carboxamide (CID 88901819) is N-[3,5-bis(trifluoromethyl)phenyl]-4-(3-pyridin-4-ylpyrazin-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-4-(3-pyridin-4-ylpyrazin-2-yl)piperazine-1-carboxamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-4-(3-pyridin-4-ylpyrazin-2-yl)piperazine-1-carboxamide is O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(c2nccnc2-c2ccncc2)CC1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-4-(3-pyridin-4-ylpyrazin-2-yl)piperazine-1-carboxamide?
The InChIKey is DYVFSGPNRGAEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F6N6O/c23-21(24,25)15-11-16(22(26,27)28)13-17(12-15)32-20(35)34-9-7-33(8-10-34)19-18(30-5-6-31-19)14-1-3-29-4-2-14/h1-6,11-13H,7-10H2,(H,32,35).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-4-(3-pyridin-4-ylpyrazin-2-yl)piperazine-1-carboxamide?
N-[3,5-bis(trifluoromethyl)phenyl]-4-(3-pyridin-4-ylpyrazin-2-yl)piperazine-1-carboxamide has a molecular weight of 496.42 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-4-(3-pyridin-4-ylpyrazin-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 88901819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).