1-(2-fluoro-3-pyridinyl)-3-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]urea

C13H16FN5O — CID 97455583

IUPAC1-(2-fluoro-3-pyridinyl)-3-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]urea
SMILESCC[C@H](NC(=O)Nc1cccnc1F)c1ncc(C)[nH]1
InChIInChI=1S/C13H16FN5O/c1-3-9(12-16-7-8(2)17-12)18-13(20)19-10-5-4-6-15-11(10)14/h4-7,9H,3H2,1-2H3,(H,16,17)(H2,18,19,20)/t9-/m0/s1
InChIKeyGMAAZIYZFLHHCO-VIFPVBQESA-N
MW277.30 g/mol
LogP2.53
Rot. Bonds4

About 1-(2-fluoro-3-pyridinyl)-3-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]urea

1-(2-fluoro-3-pyridinyl)-3-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]urea (PubChem CID 97455583) has the molecular formula C13H16FN5O and a molecular weight of 277.30 g/mol. Its IUPAC name is 1-(2-fluoro-3-pyridinyl)-3-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]urea.

Molecular Properties

Compound Name1-(2-fluoro-3-pyridinyl)-3-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]urea
PubChem CID97455583
Molecular FormulaC13H16FN5O
Molecular Weight277.30 g/mol
Exact Mass277.13
IUPAC Name1-(2-fluoro-3-pyridinyl)-3-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]urea
SMILESCC[C@H](NC(=O)Nc1cccnc1F)c1ncc(C)[nH]1
InChIInChI=1S/C13H16FN5O/c1-3-9(12-16-7-8(2)17-12)18-13(20)19-10-5-4-6-15-11(10)14/h4-7,9H,3H2,1-2H3,(H,16,17)(H2,18,19,20)/t9-/m0/s1
InChIKeyGMAAZIYZFLHHCO-VIFPVBQESA-N
XLogP2.53
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]thiophene-2-carboxamide
CID 99933460
N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-3-phenylprop-2-enamide
CID 171135015
3,5-dimethyl-N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]-1,2-oxazole-4-carboxamide
CID 99974460
1-(difluoromethyl)-5-methyl-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]pyrrole-2-carboxamide
CID 126432423
N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-3-(5-methylpyrazol-1-yl)propanamide
CID 131930615
4-hydroxy-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]cyclohexane-1-carboxamide
CID 77084654
4-hydroxy-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]cyclohexane-1-carboxamide
CID 99973871
3-fluoro-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-5-(6-oxo-1H-pyridin-2-yl)benzamide
CID 170511574
1-(2-chloro-3-pyridinyl)-3-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]urea
CID 97158665
N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]-4-pyrrolidin-1-ylbenzamide
CID 99972095
3-methyl-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 166245430
2-(3-chloro-4-hydroxyphenyl)-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]acetamide
CID 99961287

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-pyridinyl)-3-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]urea?
The IUPAC name of 1-(2-fluoro-3-pyridinyl)-3-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]urea (CID 97455583) is 1-(2-fluoro-3-pyridinyl)-3-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]urea.
What is the SMILES notation for 1-(2-fluoro-3-pyridinyl)-3-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]urea?
The canonical SMILES for 1-(2-fluoro-3-pyridinyl)-3-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]urea is CC[C@H](NC(=O)Nc1cccnc1F)c1ncc(C)[nH]1.
What is the InChIKey of 1-(2-fluoro-3-pyridinyl)-3-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]urea?
The InChIKey is GMAAZIYZFLHHCO-VIFPVBQESA-N. The full InChI is InChI=1S/C13H16FN5O/c1-3-9(12-16-7-8(2)17-12)18-13(20)19-10-5-4-6-15-11(10)14/h4-7,9H,3H2,1-2H3,(H,16,17)(H2,18,19,20)/t9-/m0/s1.
What are the key properties of 1-(2-fluoro-3-pyridinyl)-3-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]urea?
1-(2-fluoro-3-pyridinyl)-3-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]urea has a molecular weight of 277.30 g/mol, XLogP of 2.53, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-pyridinyl)-3-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]urea is sourced from PubChem (CID 97455583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).