N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(6-morpholin-4-ylpyridazin-4-yl)piperazine-1-carboxamide

C20H22ClF3N6O2 — CID 91969033

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-4-(6-morpholin-4-ylpyridazin-4-yl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCN(c2cnnc(N3CCOCC3)c2)CC1
InChIInChI=1S/C20H22ClF3N6O2/c21-17-2-1-14(11-16(17)20(22,23)24)26-19(31)30-5-3-28(4-6-30)15-12-18(27-25-13-15)29-7-9-32-10-8-29/h1-2,11-13H,3-10H2,(H,26,31)
InChIKeyMKNJMXARQMFBAR-UHFFFAOYSA-N
MW470.88 g/mol
LogP3.34
Rot. Bonds3

About N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(6-morpholin-4-ylpyridazin-4-yl)piperazine-1-carboxamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(6-morpholin-4-ylpyridazin-4-yl)piperazine-1-carboxamide (PubChem CID 91969033) has the molecular formula C20H22ClF3N6O2 and a molecular weight of 470.88 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(6-morpholin-4-ylpyridazin-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-4-(6-morpholin-4-ylpyridazin-4-yl)piperazine-1-carboxamide
PubChem CID91969033
Molecular FormulaC20H22ClF3N6O2
Molecular Weight470.88 g/mol
Exact Mass470.14
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-4-(6-morpholin-4-ylpyridazin-4-yl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCN(c2cnnc(N3CCOCC3)c2)CC1
InChIInChI=1S/C20H22ClF3N6O2/c21-17-2-1-14(11-16(17)20(22,23)24)26-19(31)30-5-3-28(4-6-30)15-12-18(27-25-13-15)29-7-9-32-10-8-29/h1-2,11-13H,3-10H2,(H,26,31)
InChIKeyMKNJMXARQMFBAR-UHFFFAOYSA-N
XLogP3.34
TPSA73.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.88
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(5-morpholin-4-ylpyridazin-3-yl)-N-naphthalen-2-ylpiperazine-1-carboxamide
CID 71807542
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 122334296
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea
CID 122354983
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 56919783
N-[3-(difluoromethoxy)phenyl]-4-(6-morpholin-4-ylpyridazin-4-yl)piperazine-1-carboxamide
CID 122355584
N-(2-methylphenyl)-4-(5-morpholin-4-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 91968888
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[6-(ethylamino)pyridazin-3-yl]piperazine-1-carboxamide
CID 122350668
[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 91968830
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-morpholin-4-yl-2-oxoacetamide
CID 108509700
N-(4-methoxy-2-methylphenyl)-4-(6-morpholin-4-ylpyridazin-4-yl)piperazine-1-carboxamide
CID 71807558
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazine-1-carboxamide
CID 122348611
(2,4-dichlorophenyl)-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]methanone
CID 91968972

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(6-morpholin-4-ylpyridazin-4-yl)piperazine-1-carboxamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(6-morpholin-4-ylpyridazin-4-yl)piperazine-1-carboxamide (CID 91969033) is N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(6-morpholin-4-ylpyridazin-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(6-morpholin-4-ylpyridazin-4-yl)piperazine-1-carboxamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(6-morpholin-4-ylpyridazin-4-yl)piperazine-1-carboxamide is O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCN(c2cnnc(N3CCOCC3)c2)CC1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(6-morpholin-4-ylpyridazin-4-yl)piperazine-1-carboxamide?
The InChIKey is MKNJMXARQMFBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClF3N6O2/c21-17-2-1-14(11-16(17)20(22,23)24)26-19(31)30-5-3-28(4-6-30)15-12-18(27-25-13-15)29-7-9-32-10-8-29/h1-2,11-13H,3-10H2,(H,26,31).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(6-morpholin-4-ylpyridazin-4-yl)piperazine-1-carboxamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(6-morpholin-4-ylpyridazin-4-yl)piperazine-1-carboxamide has a molecular weight of 470.88 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(6-morpholin-4-ylpyridazin-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 91969033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).