1-(3,5-difluorophenyl)-3-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]urea

C18H17F2N7O — CID 121064952

IUPAC1-(3,5-difluorophenyl)-3-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]urea
SMILESO=C(NCCNc1ccc(Nc2ccccn2)nn1)Nc1cc(F)cc(F)c1
InChIInChI=1S/C18H17F2N7O/c19-12-9-13(20)11-14(10-12)24-18(28)23-8-7-22-16-4-5-17(27-26-16)25-15-3-1-2-6-21-15/h1-6,9-11H,7-8H2,(H,22,26)(H,21,25,27)(H2,23,24,28)
InChIKeyRJPRCRYJBCTLRE-UHFFFAOYSA-N
MW385.38 g/mol
LogP3.13
Rot. Bonds7

About 1-(3,5-difluorophenyl)-3-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]urea

1-(3,5-difluorophenyl)-3-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]urea (PubChem CID 121064952) has the molecular formula C18H17F2N7O and a molecular weight of 385.38 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-3-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]urea.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-3-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]urea
PubChem CID121064952
Molecular FormulaC18H17F2N7O
Molecular Weight385.38 g/mol
Exact Mass385.15
IUPAC Name1-(3,5-difluorophenyl)-3-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]urea
SMILESO=C(NCCNc1ccc(Nc2ccccn2)nn1)Nc1cc(F)cc(F)c1
InChIInChI=1S/C18H17F2N7O/c19-12-9-13(20)11-14(10-12)24-18(28)23-8-7-22-16-4-5-17(27-26-16)25-15-3-1-2-6-21-15/h1-6,9-11H,7-8H2,(H,22,26)(H,21,25,27)(H2,23,24,28)
InChIKeyRJPRCRYJBCTLRE-UHFFFAOYSA-N
XLogP3.13
TPSA103.86 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.38
LogP ≤ 53.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-3-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]urea
CID 121064857
1-naphthalen-2-yl-3-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]urea
CID 121064948
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]urea
CID 42111816
3-fluoro-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
CID 121064834
2-(2-fluorophenyl)-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]acetamide
CID 122288882
4-iodo-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
CID 121064919
2-cyclopropyl-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]acetamide
CID 122288891
2-(2-chlorophenyl)-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]acetamide
CID 122288805
N-(3,5-difluorophenyl)-4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazine-1-carboxamide
CID 56700221
1-(3-chloro-4-fluorophenyl)-3-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]urea
CID 42111663
1-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 42111656
1-(4-ethylphenyl)-3-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]urea
CID 122314995

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-3-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]urea?
The IUPAC name of 1-(3,5-difluorophenyl)-3-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]urea (CID 121064952) is 1-(3,5-difluorophenyl)-3-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]urea.
What is the SMILES notation for 1-(3,5-difluorophenyl)-3-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]urea?
The canonical SMILES for 1-(3,5-difluorophenyl)-3-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]urea is O=C(NCCNc1ccc(Nc2ccccn2)nn1)Nc1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)-3-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]urea?
The InChIKey is RJPRCRYJBCTLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N7O/c19-12-9-13(20)11-14(10-12)24-18(28)23-8-7-22-16-4-5-17(27-26-16)25-15-3-1-2-6-21-15/h1-6,9-11H,7-8H2,(H,22,26)(H,21,25,27)(H2,23,24,28).
What are the key properties of 1-(3,5-difluorophenyl)-3-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]urea?
1-(3,5-difluorophenyl)-3-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]urea has a molecular weight of 385.38 g/mol, XLogP of 3.13, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-3-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]urea is sourced from PubChem (CID 121064952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).