1-acetamido-3-[1-[5-[3,5-dichloro-2-(4-fluoropyrazol-1-yl)phenyl]-3-fluoro-2-pyridinyl]ethyl]urea

C19H16Cl2F2N6O2 — CID 91079653

IUPAC1-acetamido-3-[1-[5-[3,5-dichloro-2-(4-fluoropyrazol-1-yl)phenyl]-3-fluoro-2-pyridinyl]ethyl]urea
SMILESCC(=O)NNC(=O)NC(C)c1ncc(-c2cc(Cl)cc(Cl)c2-n2cc(F)cn2)cc1F
InChIInChI=1S/C19H16Cl2F2N6O2/c1-9(26-19(31)28-27-10(2)30)17-16(23)3-11(6-24-17)14-4-12(20)5-15(21)18(14)29-8-13(22)7-25-29/h3-9H,1-2H3,(H,27,30)(H2,26,28,31)
InChIKeyZTQNNUVQXQVRCD-UHFFFAOYSA-N
MW469.28 g/mol
LogP3.93
Rot. Bonds4

About 1-acetamido-3-[1-[5-[3,5-dichloro-2-(4-fluoropyrazol-1-yl)phenyl]-3-fluoro-2-pyridinyl]ethyl]urea

1-acetamido-3-[1-[5-[3,5-dichloro-2-(4-fluoropyrazol-1-yl)phenyl]-3-fluoro-2-pyridinyl]ethyl]urea (PubChem CID 91079653) has the molecular formula C19H16Cl2F2N6O2 and a molecular weight of 469.28 g/mol. Its IUPAC name is 1-acetamido-3-[1-[5-[3,5-dichloro-2-(4-fluoropyrazol-1-yl)phenyl]-3-fluoro-2-pyridinyl]ethyl]urea.

Molecular Properties

Compound Name1-acetamido-3-[1-[5-[3,5-dichloro-2-(4-fluoropyrazol-1-yl)phenyl]-3-fluoro-2-pyridinyl]ethyl]urea
PubChem CID91079653
Molecular FormulaC19H16Cl2F2N6O2
Molecular Weight469.28 g/mol
Exact Mass468.07
IUPAC Name1-acetamido-3-[1-[5-[3,5-dichloro-2-(4-fluoropyrazol-1-yl)phenyl]-3-fluoro-2-pyridinyl]ethyl]urea
SMILESCC(=O)NNC(=O)NC(C)c1ncc(-c2cc(Cl)cc(Cl)c2-n2cc(F)cn2)cc1F
InChIInChI=1S/C19H16Cl2F2N6O2/c1-9(26-19(31)28-27-10(2)30)17-16(23)3-11(6-24-17)14-4-12(20)5-15(21)18(14)29-8-13(22)7-25-29/h3-9H,1-2H3,(H,27,30)(H2,26,28,31)
InChIKeyZTQNNUVQXQVRCD-UHFFFAOYSA-N
XLogP3.93
TPSA100.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.28
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-acetamido-3-[1-[5-[3,5-dichloro-2-(4-fluoropyrazol-1-yl)phenyl]-3-fluoro-2-pyridinyl]ethyl]urea 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

1-[1-[5-(3,5-dichloro-2-pyrazol-1-ylphenyl)-3-fluoro-2-pyridinyl]ethyl]-3-[(2,2,2-trifluoroacetyl)amino]urea
CID 91562808
1-[1-[5-[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]-3-fluoro-2-pyridinyl]ethyl]-3-(2-methylpropanoylamino)urea
CID 90721230
1-[(1R)-1-[5-(2,5-dichloro-3-fluorophenyl)-3-fluoro-2-pyridinyl]ethyl]-3-[(2-methoxyacetyl)amino]urea
CID 70858835
1-[(1R)-1-[5-[5-chloro-2-(5-chlorothiophen-2-yl)-3-fluorophenyl]-3-fluoro-2-pyridinyl]ethyl]-3-[(2,2,2-trifluoroacetyl)amino]urea
CID 89039222
1-[(1R)-1-[5-[3-chloro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-fluoro-2-pyridinyl]ethyl]-3-[(2,2,2-trifluoroacetyl)amino]urea
CID 89039135
1-[(1R)-1-[5-[3-chloro-2-(2,2-difluoroethoxy)-5-fluorophenyl]-3-fluoro-2-pyridinyl]ethyl]-3-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]urea
CID 89039202
3-[(1R)-1-[5-(5-chloro-3-fluoro-2-pyrazol-1-ylphenyl)-3-fluoro-2-pyridinyl]ethyl]-1-ethyl-1-[(2,2,2-trifluoroacetyl)amino]urea
CID 89039206
1-[(1R)-1-[5-[5-chloro-2-(2,2-difluoroethoxy)-3-fluorophenyl]-3-fluoro-2-pyridinyl]ethyl]-3-(4,5-dihydro-1,2-oxazole-5-carbonylamino)urea
CID 89039159
methyl 2-[6-[(1R)-1-aminoethyl]-5-fluoro-3-pyridinyl]-4,6-dichlorobenzoate;hydrochloride
CID 173089795
3-[1-[5-[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]-3-fluoro-2-pyridinyl]ethyl]-1-(3,3-difluorobut-1-en-2-yloxy)-1-ethylurea
CID 90706567
3-[1-[5-[3-chloro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-fluoro-2-pyridinyl]ethyl]-1-hydroxy-1-methylurea
CID 90747098
N-[(1R)-1-[5-[2-[N-[amino(methyl)amino]-N'-methylcarbamimidoyl]-5-chloro-3-fluorophenyl]-3-fluoro-2-pyridinyl]ethyl]-4,4-difluoro-1-hydroxycyclohexane-1-carboxamide
CID 143958533

Frequently Asked Questions

What is the IUPAC name of 1-acetamido-3-[1-[5-[3,5-dichloro-2-(4-fluoropyrazol-1-yl)phenyl]-3-fluoro-2-pyridinyl]ethyl]urea?
The IUPAC name of 1-acetamido-3-[1-[5-[3,5-dichloro-2-(4-fluoropyrazol-1-yl)phenyl]-3-fluoro-2-pyridinyl]ethyl]urea (CID 91079653) is 1-acetamido-3-[1-[5-[3,5-dichloro-2-(4-fluoropyrazol-1-yl)phenyl]-3-fluoro-2-pyridinyl]ethyl]urea.
What is the SMILES notation for 1-acetamido-3-[1-[5-[3,5-dichloro-2-(4-fluoropyrazol-1-yl)phenyl]-3-fluoro-2-pyridinyl]ethyl]urea?
The canonical SMILES for 1-acetamido-3-[1-[5-[3,5-dichloro-2-(4-fluoropyrazol-1-yl)phenyl]-3-fluoro-2-pyridinyl]ethyl]urea is CC(=O)NNC(=O)NC(C)c1ncc(-c2cc(Cl)cc(Cl)c2-n2cc(F)cn2)cc1F.
What is the InChIKey of 1-acetamido-3-[1-[5-[3,5-dichloro-2-(4-fluoropyrazol-1-yl)phenyl]-3-fluoro-2-pyridinyl]ethyl]urea?
The InChIKey is ZTQNNUVQXQVRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2F2N6O2/c1-9(26-19(31)28-27-10(2)30)17-16(23)3-11(6-24-17)14-4-12(20)5-15(21)18(14)29-8-13(22)7-25-29/h3-9H,1-2H3,(H,27,30)(H2,26,28,31).
What are the key properties of 1-acetamido-3-[1-[5-[3,5-dichloro-2-(4-fluoropyrazol-1-yl)phenyl]-3-fluoro-2-pyridinyl]ethyl]urea?
1-acetamido-3-[1-[5-[3,5-dichloro-2-(4-fluoropyrazol-1-yl)phenyl]-3-fluoro-2-pyridinyl]ethyl]urea has a molecular weight of 469.28 g/mol, XLogP of 3.93, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetamido-3-[1-[5-[3,5-dichloro-2-(4-fluoropyrazol-1-yl)phenyl]-3-fluoro-2-pyridinyl]ethyl]urea is sourced from PubChem (CID 91079653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).