1-[4-amino-5-[amino-(4-fluorophenyl)methyl]-6-formyl-2-pyridinyl]-3-(2-hydroxy-1-phenylpropyl)urea

C23H24FN5O3 — CID 123405624

IUPAC1-[4-amino-5-[amino-(4-fluorophenyl)methyl]-6-formyl-2-pyridinyl]-3-(2-hydroxy-1-phenylpropyl)urea
SMILESCC(O)C(NC(=O)Nc1cc(N)c(C(N)c2ccc(F)cc2)c(C=O)n1)c1ccccc1
InChIInChI=1S/C23H24FN5O3/c1-13(31)22(15-5-3-2-4-6-15)29-23(32)28-19-11-17(25)20(18(12-30)27-19)21(26)14-7-9-16(24)10-8-14/h2-13,21-22,31H,26H2,1H3,(H4,25,27,28,29,32)
InChIKeyCESISRYAJLOJQL-UHFFFAOYSA-N
MW437.48 g/mol
LogP2.91
Rot. Bonds7

About 1-[4-amino-5-[amino-(4-fluorophenyl)methyl]-6-formyl-2-pyridinyl]-3-(2-hydroxy-1-phenylpropyl)urea

1-[4-amino-5-[amino-(4-fluorophenyl)methyl]-6-formyl-2-pyridinyl]-3-(2-hydroxy-1-phenylpropyl)urea (PubChem CID 123405624) has the molecular formula C23H24FN5O3 and a molecular weight of 437.48 g/mol. Its IUPAC name is 1-[4-amino-5-[amino-(4-fluorophenyl)methyl]-6-formyl-2-pyridinyl]-3-(2-hydroxy-1-phenylpropyl)urea.

Molecular Properties

Compound Name1-[4-amino-5-[amino-(4-fluorophenyl)methyl]-6-formyl-2-pyridinyl]-3-(2-hydroxy-1-phenylpropyl)urea
PubChem CID123405624
Molecular FormulaC23H24FN5O3
Molecular Weight437.48 g/mol
Exact Mass437.19
IUPAC Name1-[4-amino-5-[amino-(4-fluorophenyl)methyl]-6-formyl-2-pyridinyl]-3-(2-hydroxy-1-phenylpropyl)urea
SMILESCC(O)C(NC(=O)Nc1cc(N)c(C(N)c2ccc(F)cc2)c(C=O)n1)c1ccccc1
InChIInChI=1S/C23H24FN5O3/c1-13(31)22(15-5-3-2-4-6-15)29-23(32)28-19-11-17(25)20(18(12-30)27-19)21(26)14-7-9-16(24)10-8-14/h2-13,21-22,31H,26H2,1H3,(H4,25,27,28,29,32)
InChIKeyCESISRYAJLOJQL-UHFFFAOYSA-N
XLogP2.91
TPSA143.36 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 52.91
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[4-amino-5-[amino-(4-fluorophenyl)methyl]-6-formyl-2-pyridinyl]-3-(2-hydroxy-1-phenylpropyl)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

4-amino-6-[[(1S,2S)-2-hydroxy-1-phenylpropyl]carbamoylamino]pyridine-3-carboxamide
CID 144599383
methyl 4-amino-6-[(2-hydroxy-1-phenylpropyl)carbamoylamino]pyridine-3-carboximidate
CID 123695637
2-methoxyethyl 4-amino-6-[(2-hydroxy-1-phenylpropyl)carbamoylamino]pyridine-3-carboximidate
CID 123531420
1-(2-hydroxy-1-phenylpropyl)-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
CID 123506062
1-[4-(hydroxymethyl)-3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R,2S)-2-hydroxy-3-methyl-1-phenylbutyl]urea
CID 118365064
(4-fluorophenyl)-phenylmethanamine
CID 11183272
1-[(1R)-1-(4-fluorophenyl)ethyl]-3-phenylurea
CID 27868374
1-[4-amino-5-(4-fluorobenzenecarboximidoyl)-6-(hydroxymethyl)-2-pyridinyl]-3-[(1S,2R)-1-(4-fluorophenyl)-2-hydroxybut-3-ynyl]urea
CID 144869681
1-[1-(3-aminophenyl)ethyl]-3-(4-fluorophenyl)urea
CID 43298096
1-[3-(4-fluorophenyl)-4-(hydroxymethyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 122636820
(3S)-3-amino-3-(4-fluorophenyl)-N-[(1R)-1-phenylethyl]propanamide
CID 122368235
N'-[(1R)-1-(4-fluorophenyl)ethyl]-N-[(1R)-1-phenylethyl]oxamide
CID 30405081

Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-5-[amino-(4-fluorophenyl)methyl]-6-formyl-2-pyridinyl]-3-(2-hydroxy-1-phenylpropyl)urea?
The IUPAC name of 1-[4-amino-5-[amino-(4-fluorophenyl)methyl]-6-formyl-2-pyridinyl]-3-(2-hydroxy-1-phenylpropyl)urea (CID 123405624) is 1-[4-amino-5-[amino-(4-fluorophenyl)methyl]-6-formyl-2-pyridinyl]-3-(2-hydroxy-1-phenylpropyl)urea.
What is the SMILES notation for 1-[4-amino-5-[amino-(4-fluorophenyl)methyl]-6-formyl-2-pyridinyl]-3-(2-hydroxy-1-phenylpropyl)urea?
The canonical SMILES for 1-[4-amino-5-[amino-(4-fluorophenyl)methyl]-6-formyl-2-pyridinyl]-3-(2-hydroxy-1-phenylpropyl)urea is CC(O)C(NC(=O)Nc1cc(N)c(C(N)c2ccc(F)cc2)c(C=O)n1)c1ccccc1.
What is the InChIKey of 1-[4-amino-5-[amino-(4-fluorophenyl)methyl]-6-formyl-2-pyridinyl]-3-(2-hydroxy-1-phenylpropyl)urea?
The InChIKey is CESISRYAJLOJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O3/c1-13(31)22(15-5-3-2-4-6-15)29-23(32)28-19-11-17(25)20(18(12-30)27-19)21(26)14-7-9-16(24)10-8-14/h2-13,21-22,31H,26H2,1H3,(H4,25,27,28,29,32).
What are the key properties of 1-[4-amino-5-[amino-(4-fluorophenyl)methyl]-6-formyl-2-pyridinyl]-3-(2-hydroxy-1-phenylpropyl)urea?
1-[4-amino-5-[amino-(4-fluorophenyl)methyl]-6-formyl-2-pyridinyl]-3-(2-hydroxy-1-phenylpropyl)urea has a molecular weight of 437.48 g/mol, XLogP of 2.91, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-5-[amino-(4-fluorophenyl)methyl]-6-formyl-2-pyridinyl]-3-(2-hydroxy-1-phenylpropyl)urea is sourced from PubChem (CID 123405624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).