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

C20H24F2N6O3 — CID 122355584

IUPACN-[3-(difluoromethoxy)phenyl]-4-(6-morpholin-4-ylpyridazin-4-yl)piperazine-1-carboxamide
SMILESO=C(Nc1cccc(OC(F)F)c1)N1CCN(c2cnnc(N3CCOCC3)c2)CC1
InChIInChI=1S/C20H24F2N6O3/c21-19(22)31-17-3-1-2-15(12-17)24-20(29)28-6-4-26(5-7-28)16-13-18(25-23-14-16)27-8-10-30-11-9-27/h1-3,12-14,19H,4-11H2,(H,24,29)
InChIKeyYPAYEGLNEJVPJR-UHFFFAOYSA-N
MW434.45 g/mol
LogP2.27
Rot. Bonds5

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

N-[3-(difluoromethoxy)phenyl]-4-(6-morpholin-4-ylpyridazin-4-yl)piperazine-1-carboxamide (PubChem CID 122355584) has the molecular formula C20H24F2N6O3 and a molecular weight of 434.45 g/mol. Its IUPAC name is N-[3-(difluoromethoxy)phenyl]-4-(6-morpholin-4-ylpyridazin-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(difluoromethoxy)phenyl]-4-(6-morpholin-4-ylpyridazin-4-yl)piperazine-1-carboxamide
PubChem CID122355584
Molecular FormulaC20H24F2N6O3
Molecular Weight434.45 g/mol
Exact Mass434.19
IUPAC NameN-[3-(difluoromethoxy)phenyl]-4-(6-morpholin-4-ylpyridazin-4-yl)piperazine-1-carboxamide
SMILESO=C(Nc1cccc(OC(F)F)c1)N1CCN(c2cnnc(N3CCOCC3)c2)CC1
InChIInChI=1S/C20H24F2N6O3/c21-19(22)31-17-3-1-2-15(12-17)24-20(29)28-6-4-26(5-7-28)16-13-18(25-23-14-16)27-8-10-30-11-9-27/h1-3,12-14,19H,4-11H2,(H,24,29)
InChIKeyYPAYEGLNEJVPJR-UHFFFAOYSA-N
XLogP2.27
TPSA83.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-morpholin-4-ylpyridazin-4-yl)piperazine-1-carboxamide
CID 91969033
N-(2-methylphenyl)-4-(5-morpholin-4-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 91968888
N-(4-methoxy-2-methylphenyl)-4-(6-morpholin-4-ylpyridazin-4-yl)piperazine-1-carboxamide
CID 71807558
N-[3-(difluoromethoxy)phenyl]-4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carboxamide
CID 122336923
N-[3-(difluoromethoxy)phenyl]-4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 122337180
2-(4-fluorophenoxy)-1-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]ethanone
CID 122355627
(2,3-dimethoxyphenyl)-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121137255
[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 91968830
furan-2-yl-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 91968843
2-ethyl-1-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]butan-1-one
CID 122355568
(2-methylphenyl)-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 91968809

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethoxy)phenyl]-4-(6-morpholin-4-ylpyridazin-4-yl)piperazine-1-carboxamide?
The IUPAC name of N-[3-(difluoromethoxy)phenyl]-4-(6-morpholin-4-ylpyridazin-4-yl)piperazine-1-carboxamide (CID 122355584) is N-[3-(difluoromethoxy)phenyl]-4-(6-morpholin-4-ylpyridazin-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-[3-(difluoromethoxy)phenyl]-4-(6-morpholin-4-ylpyridazin-4-yl)piperazine-1-carboxamide?
The canonical SMILES for N-[3-(difluoromethoxy)phenyl]-4-(6-morpholin-4-ylpyridazin-4-yl)piperazine-1-carboxamide is O=C(Nc1cccc(OC(F)F)c1)N1CCN(c2cnnc(N3CCOCC3)c2)CC1.
What is the InChIKey of N-[3-(difluoromethoxy)phenyl]-4-(6-morpholin-4-ylpyridazin-4-yl)piperazine-1-carboxamide?
The InChIKey is YPAYEGLNEJVPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N6O3/c21-19(22)31-17-3-1-2-15(12-17)24-20(29)28-6-4-26(5-7-28)16-13-18(25-23-14-16)27-8-10-30-11-9-27/h1-3,12-14,19H,4-11H2,(H,24,29).
What are the key properties of N-[3-(difluoromethoxy)phenyl]-4-(6-morpholin-4-ylpyridazin-4-yl)piperazine-1-carboxamide?
N-[3-(difluoromethoxy)phenyl]-4-(6-morpholin-4-ylpyridazin-4-yl)piperazine-1-carboxamide has a molecular weight of 434.45 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethoxy)phenyl]-4-(6-morpholin-4-ylpyridazin-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 122355584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).