1-(3-chloro-4-fluorophenyl)-3-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]urea

C19H19ClFN7O — CID 42111663

IUPAC1-(3-chloro-4-fluorophenyl)-3-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]urea
SMILESCc1ccnc(Nc2ccc(NCCNC(=O)Nc3ccc(F)c(Cl)c3)nn2)c1
InChIInChI=1S/C19H19ClFN7O/c1-12-6-7-22-18(10-12)26-17-5-4-16(27-28-17)23-8-9-24-19(29)25-13-2-3-15(21)14(20)11-13/h2-7,10-11H,8-9H2,1H3,(H,23,27)(H,22,26,28)(H2,24,25,29)
InChIKeyHFNZPOPVSCNXQT-UHFFFAOYSA-N
MW415.86 g/mol
LogP3.95
Rot. Bonds7

About 1-(3-chloro-4-fluorophenyl)-3-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]urea

1-(3-chloro-4-fluorophenyl)-3-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]urea (PubChem CID 42111663) has the molecular formula C19H19ClFN7O and a molecular weight of 415.86 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-3-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]urea.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-3-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]urea
PubChem CID42111663
Molecular FormulaC19H19ClFN7O
Molecular Weight415.86 g/mol
Exact Mass415.13
IUPAC Name1-(3-chloro-4-fluorophenyl)-3-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]urea
SMILESCc1ccnc(Nc2ccc(NCCNC(=O)Nc3ccc(F)c(Cl)c3)nn2)c1
InChIInChI=1S/C19H19ClFN7O/c1-12-6-7-22-18(10-12)26-17-5-4-16(27-28-17)23-8-9-24-19(29)25-13-2-3-15(21)14(20)11-13/h2-7,10-11H,8-9H2,1H3,(H,23,27)(H,22,26,28)(H2,24,25,29)
InChIKeyHFNZPOPVSCNXQT-UHFFFAOYSA-N
XLogP3.95
TPSA103.86 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.86
LogP ≤ 53.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(3-chloro-4-fluorophenyl)-3-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]urea with MolForge

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Related Compounds

1-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 42111656
N'-(3-chloro-4-fluorophenyl)-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]butanediamide
CID 50959320
1-(3-chloro-4-fluorophenyl)-3-(4-methyl-2-pyridinyl)urea
CID 970486
2-chloro-6-fluoro-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzamide
CID 42111635
1-(3-fluoro-4-methylphenyl)-3-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]urea
CID 121065120
N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-2,2-diphenylacetamide
CID 121064588
N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]pyridine-2-carboxamide
CID 122288531
1-(3-chloro-4-fluorophenyl)-3-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]urea
CID 122325314
2,4-dimethyl-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzamide
CID 121064501
N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzamide
CID 121064497
(E)-3-(2-fluorophenyl)-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]prop-2-enamide
CID 122288699
1-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 122314584

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]urea?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]urea (CID 42111663) is 1-(3-chloro-4-fluorophenyl)-3-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]urea.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-3-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]urea?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-3-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]urea is Cc1ccnc(Nc2ccc(NCCNC(=O)Nc3ccc(F)c(Cl)c3)nn2)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-3-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]urea?
The InChIKey is HFNZPOPVSCNXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFN7O/c1-12-6-7-22-18(10-12)26-17-5-4-16(27-28-17)23-8-9-24-19(29)25-13-2-3-15(21)14(20)11-13/h2-7,10-11H,8-9H2,1H3,(H,23,27)(H,22,26,28)(H2,24,25,29).
What are the key properties of 1-(3-chloro-4-fluorophenyl)-3-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]urea?
1-(3-chloro-4-fluorophenyl)-3-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]urea has a molecular weight of 415.86 g/mol, XLogP of 3.95, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-3-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]urea is sourced from PubChem (CID 42111663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).