N-[4-[1-(3,5-difluorobenzoyl)piperidin-4-yl]phenyl]-N-pyridazin-4-ylazetidine-3-carboxamide

C26H25F2N5O2 — CID 90012505

IUPACN-[4-[1-(3,5-difluorobenzoyl)piperidin-4-yl]phenyl]-N-pyridazin-4-ylazetidine-3-carboxamide
SMILESO=C(c1cc(F)cc(F)c1)N1CCC(c2ccc(N(C(=O)C3CNC3)c3ccnnc3)cc2)CC1
InChIInChI=1S/C26H25F2N5O2/c27-21-11-19(12-22(28)13-21)25(34)32-9-6-18(7-10-32)17-1-3-23(4-2-17)33(24-5-8-30-31-16-24)26(35)20-14-29-15-20/h1-5,8,11-13,16,18,20,29H,6-7,9-10,14-15H2
InChIKeyJJYPOAVJBBWSLK-UHFFFAOYSA-N
MW477.52 g/mol
LogP3.66
Rot. Bonds5

About N-[4-[1-(3,5-difluorobenzoyl)piperidin-4-yl]phenyl]-N-pyridazin-4-ylazetidine-3-carboxamide

N-[4-[1-(3,5-difluorobenzoyl)piperidin-4-yl]phenyl]-N-pyridazin-4-ylazetidine-3-carboxamide (PubChem CID 90012505) has the molecular formula C26H25F2N5O2 and a molecular weight of 477.52 g/mol. Its IUPAC name is N-[4-[1-(3,5-difluorobenzoyl)piperidin-4-yl]phenyl]-N-pyridazin-4-ylazetidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[1-(3,5-difluorobenzoyl)piperidin-4-yl]phenyl]-N-pyridazin-4-ylazetidine-3-carboxamide
PubChem CID90012505
Molecular FormulaC26H25F2N5O2
Molecular Weight477.52 g/mol
Exact Mass477.20
IUPAC NameN-[4-[1-(3,5-difluorobenzoyl)piperidin-4-yl]phenyl]-N-pyridazin-4-ylazetidine-3-carboxamide
SMILESO=C(c1cc(F)cc(F)c1)N1CCC(c2ccc(N(C(=O)C3CNC3)c3ccnnc3)cc2)CC1
InChIInChI=1S/C26H25F2N5O2/c27-21-11-19(12-22(28)13-21)25(34)32-9-6-18(7-10-32)17-1-3-23(4-2-17)33(24-5-8-30-31-16-24)26(35)20-14-29-15-20/h1-5,8,11-13,16,18,20,29H,6-7,9-10,14-15H2
InChIKeyJJYPOAVJBBWSLK-UHFFFAOYSA-N
XLogP3.66
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.52
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-[1-(3,5-difluorobenzoyl)piperidin-4-yl]phenyl]-N-pyridazin-4-ylazetidine-3-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

(3S)-N-[4-[1-(3,5-difluorobenzoyl)piperidin-4-yl]phenyl]-N-pyridazin-3-ylpyrrolidine-3-carboxamide
CID 90012897
N-[4-[1-(3,4-difluorobenzoyl)piperidin-4-yl]oxyphenyl]-N-pyridazin-4-ylazetidine-3-carboxamide
CID 90012798
N-[4-(1-acetylpiperidin-4-yl)phenyl]-N-pyridazin-3-ylazetidine-3-carboxamide
CID 90012466
N-[4-[1-(3-ethoxypropanoyl)piperidin-4-yl]phenyl]-N-pyridin-3-ylazetidine-3-carboxamide
CID 90013059
N-[4-[1-(2-naphthalen-2-ylacetyl)piperidin-4-yl]phenyl]-N-pyridazin-3-ylazetidine-3-carboxamide
CID 90013075
N-[4-[1-(4-fluorobenzoyl)piperidin-4-yl]oxyphenyl]-N-pyridazin-3-ylazetidine-3-carboxamide
CID 90012334
tert-butyl 4-[4-[azetidine-3-carbonyl(pyridazin-3-yl)amino]phenyl]piperidine-1-carboxylate
CID 90012282
tert-butyl 4-[4-[azetidine-3-carbonyl-(4-methylpyridazin-3-yl)amino]phenyl]piperidine-1-carboxylate
CID 90013008
N-[4-[1-(2-methylpropanoyl)azetidin-3-yl]oxyphenyl]-N-pyridazin-4-ylazetidine-3-carboxamide
CID 90013125
N-[4-[1-(3,4-difluorobenzoyl)piperidin-4-yl]oxyphenyl]-N-pyridazin-3-ylazetidine-3-carboxamide
CID 90012619
N-(2-methyl-3-pyridinyl)-N-[4-[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]phenyl]azetidine-3-carboxamide
CID 90012618
(3-fluorophenyl)-(4-pyridin-4-ylpiperidin-1-yl)methanone
CID 22585654

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(3,5-difluorobenzoyl)piperidin-4-yl]phenyl]-N-pyridazin-4-ylazetidine-3-carboxamide?
The IUPAC name of N-[4-[1-(3,5-difluorobenzoyl)piperidin-4-yl]phenyl]-N-pyridazin-4-ylazetidine-3-carboxamide (CID 90012505) is N-[4-[1-(3,5-difluorobenzoyl)piperidin-4-yl]phenyl]-N-pyridazin-4-ylazetidine-3-carboxamide.
What is the SMILES notation for N-[4-[1-(3,5-difluorobenzoyl)piperidin-4-yl]phenyl]-N-pyridazin-4-ylazetidine-3-carboxamide?
The canonical SMILES for N-[4-[1-(3,5-difluorobenzoyl)piperidin-4-yl]phenyl]-N-pyridazin-4-ylazetidine-3-carboxamide is O=C(c1cc(F)cc(F)c1)N1CCC(c2ccc(N(C(=O)C3CNC3)c3ccnnc3)cc2)CC1.
What is the InChIKey of N-[4-[1-(3,5-difluorobenzoyl)piperidin-4-yl]phenyl]-N-pyridazin-4-ylazetidine-3-carboxamide?
The InChIKey is JJYPOAVJBBWSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F2N5O2/c27-21-11-19(12-22(28)13-21)25(34)32-9-6-18(7-10-32)17-1-3-23(4-2-17)33(24-5-8-30-31-16-24)26(35)20-14-29-15-20/h1-5,8,11-13,16,18,20,29H,6-7,9-10,14-15H2.
What are the key properties of N-[4-[1-(3,5-difluorobenzoyl)piperidin-4-yl]phenyl]-N-pyridazin-4-ylazetidine-3-carboxamide?
N-[4-[1-(3,5-difluorobenzoyl)piperidin-4-yl]phenyl]-N-pyridazin-4-ylazetidine-3-carboxamide has a molecular weight of 477.52 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(3,5-difluorobenzoyl)piperidin-4-yl]phenyl]-N-pyridazin-4-ylazetidine-3-carboxamide is sourced from PubChem (CID 90012505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).