N'-[6-chloro-5-(6-methoxy-5-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboximidamide

C21H19ClF3N7O2 — CID 150517253

IUPACN'-[6-chloro-5-(6-methoxy-5-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboximidamide
SMILESCOc1ncc(-c2cc(/N=C(\N)c3cnnc(C(F)(F)F)c3)cnc2Cl)cc1N1CCOCC1
InChIInChI=1S/C21H19ClF3N7O2/c1-33-20-16(32-2-4-34-5-3-32)6-12(9-28-20)15-8-14(11-27-18(15)22)30-19(26)13-7-17(21(23,24)25)31-29-10-13/h6-11H,2-5H2,1H3,(H2,26,30)
InChIKeyIBBMCUJCNQULAT-UHFFFAOYSA-N
MW493.88 g/mol
LogP3.49
Rot. Bonds5

About N'-[6-chloro-5-(6-methoxy-5-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboximidamide

N'-[6-chloro-5-(6-methoxy-5-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboximidamide (PubChem CID 150517253) has the molecular formula C21H19ClF3N7O2 and a molecular weight of 493.88 g/mol. Its IUPAC name is N'-[6-chloro-5-(6-methoxy-5-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboximidamide.

Molecular Properties

Compound NameN'-[6-chloro-5-(6-methoxy-5-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboximidamide
PubChem CID150517253
Molecular FormulaC21H19ClF3N7O2
Molecular Weight493.88 g/mol
Exact Mass493.12
IUPAC NameN'-[6-chloro-5-(6-methoxy-5-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboximidamide
SMILESCOc1ncc(-c2cc(/N=C(\N)c3cnnc(C(F)(F)F)c3)cnc2Cl)cc1N1CCOCC1
InChIInChI=1S/C21H19ClF3N7O2/c1-33-20-16(32-2-4-34-5-3-32)6-12(9-28-20)15-8-14(11-27-18(15)22)30-19(26)13-7-17(21(23,24)25)31-29-10-13/h6-11H,2-5H2,1H3,(H2,26,30)
InChIKeyIBBMCUJCNQULAT-UHFFFAOYSA-N
XLogP3.49
TPSA111.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.88
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-[6-chloro-5-(6-methoxy-5-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[6-chloro-5-(6-methoxy-5-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboximidamide?
The IUPAC name of N'-[6-chloro-5-(6-methoxy-5-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboximidamide (CID 150517253) is N'-[6-chloro-5-(6-methoxy-5-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboximidamide.
What is the SMILES notation for N'-[6-chloro-5-(6-methoxy-5-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboximidamide?
The canonical SMILES for N'-[6-chloro-5-(6-methoxy-5-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboximidamide is COc1ncc(-c2cc(/N=C(\N)c3cnnc(C(F)(F)F)c3)cnc2Cl)cc1N1CCOCC1.
What is the InChIKey of N'-[6-chloro-5-(6-methoxy-5-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboximidamide?
The InChIKey is IBBMCUJCNQULAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClF3N7O2/c1-33-20-16(32-2-4-34-5-3-32)6-12(9-28-20)15-8-14(11-27-18(15)22)30-19(26)13-7-17(21(23,24)25)31-29-10-13/h6-11H,2-5H2,1H3,(H2,26,30).
What are the key properties of N'-[6-chloro-5-(6-methoxy-5-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboximidamide?
N'-[6-chloro-5-(6-methoxy-5-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboximidamide has a molecular weight of 493.88 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-chloro-5-(6-methoxy-5-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboximidamide is sourced from PubChem (CID 150517253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).