1-[(S)-[4-(fluoromethyl)phenyl]-(3-propyl-2-pyridinyl)methyl]-3-pyridin-3-ylurea

C22H23FN4O — CID 90278625

IUPAC1-[(S)-[4-(fluoromethyl)phenyl]-(3-propyl-2-pyridinyl)methyl]-3-pyridin-3-ylurea
SMILESCCCc1cccnc1[C@@H](NC(=O)Nc1cccnc1)c1ccc(CF)cc1
InChIInChI=1S/C22H23FN4O/c1-2-5-17-6-3-13-25-20(17)21(18-10-8-16(14-23)9-11-18)27-22(28)26-19-7-4-12-24-15-19/h3-4,6-13,15,21H,2,5,14H2,1H3,(H2,26,27,28)/t21-/m0/s1
InChIKeyQFFGHEUPBKMHNN-NRFANRHFSA-N
MW378.45 g/mol
LogP4.81
Rot. Bonds7

About 1-[(S)-[4-(fluoromethyl)phenyl]-(3-propyl-2-pyridinyl)methyl]-3-pyridin-3-ylurea

1-[(S)-[4-(fluoromethyl)phenyl]-(3-propyl-2-pyridinyl)methyl]-3-pyridin-3-ylurea (PubChem CID 90278625) has the molecular formula C22H23FN4O and a molecular weight of 378.45 g/mol. Its IUPAC name is 1-[(S)-[4-(fluoromethyl)phenyl]-(3-propyl-2-pyridinyl)methyl]-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-[(S)-[4-(fluoromethyl)phenyl]-(3-propyl-2-pyridinyl)methyl]-3-pyridin-3-ylurea
PubChem CID90278625
Molecular FormulaC22H23FN4O
Molecular Weight378.45 g/mol
Exact Mass378.19
IUPAC Name1-[(S)-[4-(fluoromethyl)phenyl]-(3-propyl-2-pyridinyl)methyl]-3-pyridin-3-ylurea
SMILESCCCc1cccnc1[C@@H](NC(=O)Nc1cccnc1)c1ccc(CF)cc1
InChIInChI=1S/C22H23FN4O/c1-2-5-17-6-3-13-25-20(17)21(18-10-8-16(14-23)9-11-18)27-22(28)26-19-7-4-12-24-15-19/h3-4,6-13,15,21H,2,5,14H2,1H3,(H2,26,27,28)/t21-/m0/s1
InChIKeyQFFGHEUPBKMHNN-NRFANRHFSA-N
XLogP4.81
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(S)-[4-(fluoromethyl)phenyl]-(3-propyl-2-pyridinyl)methyl]-3-pyridin-3-ylurea 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-[(S)-(3-propyl-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]-3-pyridin-3-ylurea
CID 71144426
1-[(3-bromo-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]-3-pyridin-3-ylurea
CID 71144582
1-benzhydryl-3-pyridin-3-ylurea
CID 108864958
1-(2-chlorophenyl)-3-[(S)-[4-(fluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]urea
CID 90350434
1-[(S)-(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-3-pyridin-3-ylurea
CID 71144450
1-[(2-bromo-3-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]-3-pyridin-3-ylurea
CID 89311069
1-[(2-ethoxy-3-pyridinyl)methyl]-3-pyridin-3-ylurea
CID 47159517
1-[1-[4-[2-(4-ethoxyphenyl)ethynyl]phenyl]ethyl]-3-pyridin-3-ylurea
CID 56924989
2-[4-[2-oxo-2-(pyridin-3-ylamino)ethyl]phenyl]-N-pyridin-3-ylacetamide
CID 177434462
1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-pyridin-3-ylurea
CID 18101908
1-[(S)-(8-methoxyquinolin-3-yl)-[3-(trifluoromethyl)-2-pyridinyl]methyl]-3-pyridin-3-ylurea
CID 71144811
1-(1-methoxypropan-2-yl)-3-pyridin-3-ylurea
CID 51264614

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-[4-(fluoromethyl)phenyl]-(3-propyl-2-pyridinyl)methyl]-3-pyridin-3-ylurea?
The IUPAC name of 1-[(S)-[4-(fluoromethyl)phenyl]-(3-propyl-2-pyridinyl)methyl]-3-pyridin-3-ylurea (CID 90278625) is 1-[(S)-[4-(fluoromethyl)phenyl]-(3-propyl-2-pyridinyl)methyl]-3-pyridin-3-ylurea.
What is the SMILES notation for 1-[(S)-[4-(fluoromethyl)phenyl]-(3-propyl-2-pyridinyl)methyl]-3-pyridin-3-ylurea?
The canonical SMILES for 1-[(S)-[4-(fluoromethyl)phenyl]-(3-propyl-2-pyridinyl)methyl]-3-pyridin-3-ylurea is CCCc1cccnc1[C@@H](NC(=O)Nc1cccnc1)c1ccc(CF)cc1.
What is the InChIKey of 1-[(S)-[4-(fluoromethyl)phenyl]-(3-propyl-2-pyridinyl)methyl]-3-pyridin-3-ylurea?
The InChIKey is QFFGHEUPBKMHNN-NRFANRHFSA-N. The full InChI is InChI=1S/C22H23FN4O/c1-2-5-17-6-3-13-25-20(17)21(18-10-8-16(14-23)9-11-18)27-22(28)26-19-7-4-12-24-15-19/h3-4,6-13,15,21H,2,5,14H2,1H3,(H2,26,27,28)/t21-/m0/s1.
What are the key properties of 1-[(S)-[4-(fluoromethyl)phenyl]-(3-propyl-2-pyridinyl)methyl]-3-pyridin-3-ylurea?
1-[(S)-[4-(fluoromethyl)phenyl]-(3-propyl-2-pyridinyl)methyl]-3-pyridin-3-ylurea has a molecular weight of 378.45 g/mol, XLogP of 4.81, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-[4-(fluoromethyl)phenyl]-(3-propyl-2-pyridinyl)methyl]-3-pyridin-3-ylurea is sourced from PubChem (CID 90278625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).