5-fluoro-N-[1-(3-methoxypropyl)imidazol-2-yl]pyridin-3-amine

C12H15FN4O — CID 114254404

IUPAC5-fluoro-N-[1-(3-methoxypropyl)imidazol-2-yl]pyridin-3-amine
SMILESCOCCCn1ccnc1Nc1cncc(F)c1
InChIInChI=1S/C12H15FN4O/c1-18-6-2-4-17-5-3-15-12(17)16-11-7-10(13)8-14-9-11/h3,5,7-9H,2,4,6H2,1H3,(H,15,16)
InChIKeyKASYQLBKZOFZMH-UHFFFAOYSA-N
MW250.28 g/mol
LogP2.20
Rot. Bonds6

About 5-fluoro-N-[1-(3-methoxypropyl)imidazol-2-yl]pyridin-3-amine

5-fluoro-N-[1-(3-methoxypropyl)imidazol-2-yl]pyridin-3-amine (PubChem CID 114254404) has the molecular formula C12H15FN4O and a molecular weight of 250.28 g/mol. Its IUPAC name is 5-fluoro-N-[1-(3-methoxypropyl)imidazol-2-yl]pyridin-3-amine.

Molecular Properties

Compound Name5-fluoro-N-[1-(3-methoxypropyl)imidazol-2-yl]pyridin-3-amine
PubChem CID114254404
Molecular FormulaC12H15FN4O
Molecular Weight250.28 g/mol
Exact Mass250.12
IUPAC Name5-fluoro-N-[1-(3-methoxypropyl)imidazol-2-yl]pyridin-3-amine
SMILESCOCCCn1ccnc1Nc1cncc(F)c1
InChIInChI=1S/C12H15FN4O/c1-18-6-2-4-17-5-3-15-12(17)16-11-7-10(13)8-14-9-11/h3,5,7-9H,2,4,6H2,1H3,(H,15,16)
InChIKeyKASYQLBKZOFZMH-UHFFFAOYSA-N
XLogP2.20
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-iodophenyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106554175
N-(2-bromo-4,6-difluorophenyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106561351
N-(2-chloro-4,6-difluorophenyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106578712
N-(2-fluoro-4-methylphenyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106560415
N-(4-methoxy-3-methylphenyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106564104
1-(3-methoxypropyl)-N-propan-2-ylimidazol-2-amine
CID 106554826
1-(3-methoxypropyl)-N-(4-propoxyphenyl)imidazol-2-amine
CID 106569649
N-(2-fluoro-6-methylphenyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106581649
N-[(2,4-difluorophenyl)methyl]-1-(3-methoxypropyl)imidazol-2-amine
CID 106569801
1-(3-ethoxypropyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]imidazol-2-amine
CID 106567628
N-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]-5-methylpyridin-3-amine
CID 107587270
N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(2-methoxyethyl)imidazol-2-amine
CID 106563769

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[1-(3-methoxypropyl)imidazol-2-yl]pyridin-3-amine?
The IUPAC name of 5-fluoro-N-[1-(3-methoxypropyl)imidazol-2-yl]pyridin-3-amine (CID 114254404) is 5-fluoro-N-[1-(3-methoxypropyl)imidazol-2-yl]pyridin-3-amine.
What is the SMILES notation for 5-fluoro-N-[1-(3-methoxypropyl)imidazol-2-yl]pyridin-3-amine?
The canonical SMILES for 5-fluoro-N-[1-(3-methoxypropyl)imidazol-2-yl]pyridin-3-amine is COCCCn1ccnc1Nc1cncc(F)c1.
What is the InChIKey of 5-fluoro-N-[1-(3-methoxypropyl)imidazol-2-yl]pyridin-3-amine?
The InChIKey is KASYQLBKZOFZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4O/c1-18-6-2-4-17-5-3-15-12(17)16-11-7-10(13)8-14-9-11/h3,5,7-9H,2,4,6H2,1H3,(H,15,16).
What are the key properties of 5-fluoro-N-[1-(3-methoxypropyl)imidazol-2-yl]pyridin-3-amine?
5-fluoro-N-[1-(3-methoxypropyl)imidazol-2-yl]pyridin-3-amine has a molecular weight of 250.28 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[1-(3-methoxypropyl)imidazol-2-yl]pyridin-3-amine is sourced from PubChem (CID 114254404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).