1-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-3-(6-methoxy-2-pyridinyl)urea

C13H18F2N4O2 — CID 138025674

IUPAC1-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-3-(6-methoxy-2-pyridinyl)urea
SMILESCOc1cccc(NC(=O)NC2CCN(CC(F)F)C2)n1
InChIInChI=1S/C13H18F2N4O2/c1-21-12-4-2-3-11(17-12)18-13(20)16-9-5-6-19(7-9)8-10(14)15/h2-4,9-10H,5-8H2,1H3,(H2,16,17,18,20)
InChIKeyZDCPZJVMXURUTL-UHFFFAOYSA-N
MW300.31 g/mol
LogP1.55
Rot. Bonds5

About 1-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-3-(6-methoxy-2-pyridinyl)urea

1-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-3-(6-methoxy-2-pyridinyl)urea (PubChem CID 138025674) has the molecular formula C13H18F2N4O2 and a molecular weight of 300.31 g/mol. Its IUPAC name is 1-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-3-(6-methoxy-2-pyridinyl)urea.

Molecular Properties

Compound Name1-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-3-(6-methoxy-2-pyridinyl)urea
PubChem CID138025674
Molecular FormulaC13H18F2N4O2
Molecular Weight300.31 g/mol
Exact Mass300.14
IUPAC Name1-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-3-(6-methoxy-2-pyridinyl)urea
SMILESCOc1cccc(NC(=O)NC2CCN(CC(F)F)C2)n1
InChIInChI=1S/C13H18F2N4O2/c1-21-12-4-2-3-11(17-12)18-13(20)16-9-5-6-19(7-9)8-10(14)15/h2-4,9-10H,5-8H2,1H3,(H2,16,17,18,20)
InChIKeyZDCPZJVMXURUTL-UHFFFAOYSA-N
XLogP1.55
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-3-(6-methoxy-2-pyridinyl)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-(2,2-difluoroethyl)pyrrolidin-3-yl]-3-(3-methoxy-1-methylpyrazol-4-yl)urea
CID 138025091
1-(2-tert-butylpyrazol-3-yl)-3-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]urea
CID 138028312
1-[(3S)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]-3-(2-ethyl-5-methyl-1,2,4-triazol-3-yl)urea
CID 164633094
4-[[6-(2,2-difluoroethoxy)-2-pyridinyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122090044
1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(2-propoxyphenyl)urea
CID 49111775
1-(4-fluorophenyl)-3-[(3S)-1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]urea
CID 99838682
1-cyclopentyl-3-[(3R)-1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]urea
CID 95107233
1-cyclohexyl-3-[6-(cyclohexylcarbamoylamino)-2-pyridinyl]urea
CID 4149033
1-(4-fluorophenyl)-3-[(3S)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]urea
CID 94818794
(3S)-N-(6-ethoxy-2-pyridinyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 97308613
1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-[(2-propan-2-yloxyphenyl)methyl]urea
CID 48957306
1-[(3S)-1-(2,2-diphenylethyl)pyrrolidin-3-yl]-3-[2-[(E)-2-(4-fluorophenyl)ethenyl]-6-methyl-4-pyridinyl]urea
CID 11756444

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-3-(6-methoxy-2-pyridinyl)urea?
The IUPAC name of 1-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-3-(6-methoxy-2-pyridinyl)urea (CID 138025674) is 1-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-3-(6-methoxy-2-pyridinyl)urea.
What is the SMILES notation for 1-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-3-(6-methoxy-2-pyridinyl)urea?
The canonical SMILES for 1-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-3-(6-methoxy-2-pyridinyl)urea is COc1cccc(NC(=O)NC2CCN(CC(F)F)C2)n1.
What is the InChIKey of 1-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-3-(6-methoxy-2-pyridinyl)urea?
The InChIKey is ZDCPZJVMXURUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N4O2/c1-21-12-4-2-3-11(17-12)18-13(20)16-9-5-6-19(7-9)8-10(14)15/h2-4,9-10H,5-8H2,1H3,(H2,16,17,18,20).
What are the key properties of 1-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-3-(6-methoxy-2-pyridinyl)urea?
1-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-3-(6-methoxy-2-pyridinyl)urea has a molecular weight of 300.31 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-3-(6-methoxy-2-pyridinyl)urea is sourced from PubChem (CID 138025674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).