N-[1-[6-(azepan-1-yl)pyridazin-3-yl]piperidin-4-yl]-2-chloro-5-fluorobenzamide

C22H27ClFN5O — CID 50845661

IUPACN-[1-[6-(azepan-1-yl)pyridazin-3-yl]piperidin-4-yl]-2-chloro-5-fluorobenzamide
SMILESO=C(NC1CCN(c2ccc(N3CCCCCC3)nn2)CC1)c1cc(F)ccc1Cl
InChIInChI=1S/C22H27ClFN5O/c23-19-6-5-16(24)15-18(19)22(30)25-17-9-13-29(14-10-17)21-8-7-20(26-27-21)28-11-3-1-2-4-12-28/h5-8,15,17H,1-4,9-14H2,(H,25,30)
InChIKeyHBAMWTLMTRHXNF-UHFFFAOYSA-N
MW431.94 g/mol
LogP4.05
Rot. Bonds4

About N-[1-[6-(azepan-1-yl)pyridazin-3-yl]piperidin-4-yl]-2-chloro-5-fluorobenzamide

N-[1-[6-(azepan-1-yl)pyridazin-3-yl]piperidin-4-yl]-2-chloro-5-fluorobenzamide (PubChem CID 50845661) has the molecular formula C22H27ClFN5O and a molecular weight of 431.94 g/mol. Its IUPAC name is N-[1-[6-(azepan-1-yl)pyridazin-3-yl]piperidin-4-yl]-2-chloro-5-fluorobenzamide.

Molecular Properties

Compound NameN-[1-[6-(azepan-1-yl)pyridazin-3-yl]piperidin-4-yl]-2-chloro-5-fluorobenzamide
PubChem CID50845661
Molecular FormulaC22H27ClFN5O
Molecular Weight431.94 g/mol
Exact Mass431.19
IUPAC NameN-[1-[6-(azepan-1-yl)pyridazin-3-yl]piperidin-4-yl]-2-chloro-5-fluorobenzamide
SMILESO=C(NC1CCN(c2ccc(N3CCCCCC3)nn2)CC1)c1cc(F)ccc1Cl
InChIInChI=1S/C22H27ClFN5O/c23-19-6-5-16(24)15-18(19)22(30)25-17-9-13-29(14-10-17)21-8-7-20(26-27-21)28-11-3-1-2-4-12-28/h5-8,15,17H,1-4,9-14H2,(H,25,30)
InChIKeyHBAMWTLMTRHXNF-UHFFFAOYSA-N
XLogP4.05
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.94
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[6-(azepan-1-yl)pyridazin-3-yl]piperidin-4-yl]-2-chloro-5-fluorobenzamide 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

2-chloro-5-fluoro-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide
CID 91888099
N-cyclohexyl-6-piperidin-1-ylpyridazine-3-carboxamide
CID 109112450
2-chloro-N-[1-[(3S)-1,1-dioxothiolan-3-yl]piperidin-4-yl]-5-fluorobenzamide
CID 129357673
2-chloro-4,5-difluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide
CID 55708556
2-bromo-5-fluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide
CID 46466116
1-[6-(azepan-1-yl)pyridazin-3-yl]-3-cyclohexylurea
CID 113045369
2,5-dichloro-N-[1-(4-fluorobenzoyl)piperidin-4-yl]benzamide
CID 108554571
2,5-difluoro-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide
CID 91892415
1-cyclohexyl-3-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]urea
CID 113043162
N-(4-chlorocyclohexyl)-5-fluoro-2-hydroxybenzamide
CID 113281742
5-(azepan-1-ylsulfonyl)-2-chloro-N-cyclopentylbenzamide
CID 46387464
N-[4-chloro-3-(trifluoromethyl)phenyl]-6-piperidin-1-ylpyridazine-3-carboxamide
CID 109112603

Frequently Asked Questions

What is the IUPAC name of N-[1-[6-(azepan-1-yl)pyridazin-3-yl]piperidin-4-yl]-2-chloro-5-fluorobenzamide?
The IUPAC name of N-[1-[6-(azepan-1-yl)pyridazin-3-yl]piperidin-4-yl]-2-chloro-5-fluorobenzamide (CID 50845661) is N-[1-[6-(azepan-1-yl)pyridazin-3-yl]piperidin-4-yl]-2-chloro-5-fluorobenzamide.
What is the SMILES notation for N-[1-[6-(azepan-1-yl)pyridazin-3-yl]piperidin-4-yl]-2-chloro-5-fluorobenzamide?
The canonical SMILES for N-[1-[6-(azepan-1-yl)pyridazin-3-yl]piperidin-4-yl]-2-chloro-5-fluorobenzamide is O=C(NC1CCN(c2ccc(N3CCCCCC3)nn2)CC1)c1cc(F)ccc1Cl.
What is the InChIKey of N-[1-[6-(azepan-1-yl)pyridazin-3-yl]piperidin-4-yl]-2-chloro-5-fluorobenzamide?
The InChIKey is HBAMWTLMTRHXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClFN5O/c23-19-6-5-16(24)15-18(19)22(30)25-17-9-13-29(14-10-17)21-8-7-20(26-27-21)28-11-3-1-2-4-12-28/h5-8,15,17H,1-4,9-14H2,(H,25,30).
What are the key properties of N-[1-[6-(azepan-1-yl)pyridazin-3-yl]piperidin-4-yl]-2-chloro-5-fluorobenzamide?
N-[1-[6-(azepan-1-yl)pyridazin-3-yl]piperidin-4-yl]-2-chloro-5-fluorobenzamide has a molecular weight of 431.94 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-(azepan-1-yl)pyridazin-3-yl]piperidin-4-yl]-2-chloro-5-fluorobenzamide is sourced from PubChem (CID 50845661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).