N-(3,5-difluorophenyl)-4-(6-morpholin-4-ylpyridazin-3-yl)piperazine-1-carboxamide

C19H22F2N6O2 — CID 122335147

IUPACN-(3,5-difluorophenyl)-4-(6-morpholin-4-ylpyridazin-3-yl)piperazine-1-carboxamide
SMILESO=C(Nc1cc(F)cc(F)c1)N1CCN(c2ccc(N3CCOCC3)nn2)CC1
InChIInChI=1S/C19H22F2N6O2/c20-14-11-15(21)13-16(12-14)22-19(28)27-5-3-25(4-6-27)17-1-2-18(24-23-17)26-7-9-29-10-8-26/h1-2,11-13H,3-10H2,(H,22,28)
InChIKeyUUVROYZHWREXTQ-UHFFFAOYSA-N
MW404.42 g/mol
LogP1.95
Rot. Bonds3

About N-(3,5-difluorophenyl)-4-(6-morpholin-4-ylpyridazin-3-yl)piperazine-1-carboxamide

N-(3,5-difluorophenyl)-4-(6-morpholin-4-ylpyridazin-3-yl)piperazine-1-carboxamide (PubChem CID 122335147) has the molecular formula C19H22F2N6O2 and a molecular weight of 404.42 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-4-(6-morpholin-4-ylpyridazin-3-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-4-(6-morpholin-4-ylpyridazin-3-yl)piperazine-1-carboxamide
PubChem CID122335147
Molecular FormulaC19H22F2N6O2
Molecular Weight404.42 g/mol
Exact Mass404.18
IUPAC NameN-(3,5-difluorophenyl)-4-(6-morpholin-4-ylpyridazin-3-yl)piperazine-1-carboxamide
SMILESO=C(Nc1cc(F)cc(F)c1)N1CCN(c2ccc(N3CCOCC3)nn2)CC1
InChIInChI=1S/C19H22F2N6O2/c20-14-11-15(21)13-16(12-14)22-19(28)27-5-3-25(4-6-27)17-1-2-18(24-23-17)26-7-9-29-10-8-26/h1-2,11-13H,3-10H2,(H,22,28)
InChIKeyUUVROYZHWREXTQ-UHFFFAOYSA-N
XLogP1.95
TPSA73.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3,5-difluorophenyl)-4-(6-morpholin-4-ylpyridazin-3-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-(1,3-benzodioxol-5-yl)-4-(6-morpholin-4-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 122335144
N-(3,5-difluorophenyl)-4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
CID 122335723
N-(3,5-difluorophenyl)-4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazine-1-carboxamide
CID 56700221
N-(3,5-dimethylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 122334290
N-(3,5-difluorophenyl)-4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 50753236
N-(5-fluoro-3-pyridinyl)morpholine-4-carboxamide
CID 110872339
N-(1,3-benzodioxol-5-yl)-4-(6-piperidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 122334562
N-[3,5-bis(trifluoromethyl)phenyl]-4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carboxamide
CID 122336625
N-(3,4,5-trifluorophenyl)morpholine-4-carboxamide
CID 115646656
N-(2,3-dimethoxyphenyl)-4-(6-morpholin-4-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 122335412
N-(4-methylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 122334278
N-(1,3-benzodioxol-5-yl)-4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 50947655

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-4-(6-morpholin-4-ylpyridazin-3-yl)piperazine-1-carboxamide?
The IUPAC name of N-(3,5-difluorophenyl)-4-(6-morpholin-4-ylpyridazin-3-yl)piperazine-1-carboxamide (CID 122335147) is N-(3,5-difluorophenyl)-4-(6-morpholin-4-ylpyridazin-3-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3,5-difluorophenyl)-4-(6-morpholin-4-ylpyridazin-3-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(3,5-difluorophenyl)-4-(6-morpholin-4-ylpyridazin-3-yl)piperazine-1-carboxamide is O=C(Nc1cc(F)cc(F)c1)N1CCN(c2ccc(N3CCOCC3)nn2)CC1.
What is the InChIKey of N-(3,5-difluorophenyl)-4-(6-morpholin-4-ylpyridazin-3-yl)piperazine-1-carboxamide?
The InChIKey is UUVROYZHWREXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N6O2/c20-14-11-15(21)13-16(12-14)22-19(28)27-5-3-25(4-6-27)17-1-2-18(24-23-17)26-7-9-29-10-8-26/h1-2,11-13H,3-10H2,(H,22,28).
What are the key properties of N-(3,5-difluorophenyl)-4-(6-morpholin-4-ylpyridazin-3-yl)piperazine-1-carboxamide?
N-(3,5-difluorophenyl)-4-(6-morpholin-4-ylpyridazin-3-yl)piperazine-1-carboxamide has a molecular weight of 404.42 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-4-(6-morpholin-4-ylpyridazin-3-yl)piperazine-1-carboxamide is sourced from PubChem (CID 122335147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).