1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-(6-morpholin-4-yl-3-pyridinyl)urea

C20H24FN5O2 — CID 48795694

IUPAC1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-(6-morpholin-4-yl-3-pyridinyl)urea
SMILESO=C(Nc1ccc(N2CCOCC2)nc1)Nc1ccc(N2CCCC2)c(F)c1
InChIInChI=1S/C20H24FN5O2/c21-17-13-15(3-5-18(17)25-7-1-2-8-25)23-20(27)24-16-4-6-19(22-14-16)26-9-11-28-12-10-26/h3-6,13-14H,1-2,7-12H2,(H2,23,24,27)
InChIKeyWPESVVBGBWGFBQ-UHFFFAOYSA-N
MW385.44 g/mol
LogP3.30
Rot. Bonds4

About 1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-(6-morpholin-4-yl-3-pyridinyl)urea

1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-(6-morpholin-4-yl-3-pyridinyl)urea (PubChem CID 48795694) has the molecular formula C20H24FN5O2 and a molecular weight of 385.44 g/mol. Its IUPAC name is 1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-(6-morpholin-4-yl-3-pyridinyl)urea.

Molecular Properties

Compound Name1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-(6-morpholin-4-yl-3-pyridinyl)urea
PubChem CID48795694
Molecular FormulaC20H24FN5O2
Molecular Weight385.44 g/mol
Exact Mass385.19
IUPAC Name1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-(6-morpholin-4-yl-3-pyridinyl)urea
SMILESO=C(Nc1ccc(N2CCOCC2)nc1)Nc1ccc(N2CCCC2)c(F)c1
InChIInChI=1S/C20H24FN5O2/c21-17-13-15(3-5-18(17)25-7-1-2-8-25)23-20(27)24-16-4-6-19(22-14-16)26-9-11-28-12-10-26/h3-6,13-14H,1-2,7-12H2,(H2,23,24,27)
InChIKeyWPESVVBGBWGFBQ-UHFFFAOYSA-N
XLogP3.30
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-(6-morpholin-4-yl-3-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-methyl-3-(6-morpholin-4-yl-3-pyridinyl)urea
CID 47162241
1-(3-fluoro-4-piperidin-1-ylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea
CID 11718559
1-(2,4-difluorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 55616171
ethane;N-(3-fluoro-4-morpholin-4-ylphenyl)acetamide
CID 145422161
N-(3-fluoro-4-morpholin-4-ylphenyl)-2-morpholin-4-ylpyridine-4-carboxamide
CID 46968940
N-(3-fluoro-4-morpholin-4-ylphenyl)propanamide
CID 144950070
N-(6-piperidin-1-yl-3-pyridinyl)oxane-4-carboxamide
CID 30179936
N-[4-(azepan-1-yl)-3-fluorophenyl]acetamide
CID 155741497
N-(6-morpholin-4-yl-3-pyridinyl)prop-2-enamide
CID 43699902
3-[(6-morpholin-4-yl-3-pyridinyl)amino]-3-oxopropanoic acid
CID 62229953
2,2-dimethyl-N-(6-morpholin-4-yl-3-pyridinyl)propanamide
CID 11391397
1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-(2-methylpropyl)urea
CID 47264829

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-(6-morpholin-4-yl-3-pyridinyl)urea?
The IUPAC name of 1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-(6-morpholin-4-yl-3-pyridinyl)urea (CID 48795694) is 1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-(6-morpholin-4-yl-3-pyridinyl)urea.
What is the SMILES notation for 1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-(6-morpholin-4-yl-3-pyridinyl)urea?
The canonical SMILES for 1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-(6-morpholin-4-yl-3-pyridinyl)urea is O=C(Nc1ccc(N2CCOCC2)nc1)Nc1ccc(N2CCCC2)c(F)c1.
What is the InChIKey of 1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-(6-morpholin-4-yl-3-pyridinyl)urea?
The InChIKey is WPESVVBGBWGFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5O2/c21-17-13-15(3-5-18(17)25-7-1-2-8-25)23-20(27)24-16-4-6-19(22-14-16)26-9-11-28-12-10-26/h3-6,13-14H,1-2,7-12H2,(H2,23,24,27).
What are the key properties of 1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-(6-morpholin-4-yl-3-pyridinyl)urea?
1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-(6-morpholin-4-yl-3-pyridinyl)urea has a molecular weight of 385.44 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-(6-morpholin-4-yl-3-pyridinyl)urea is sourced from PubChem (CID 48795694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).