CID 147231578

C14H12AlFN4 — CID 147231578

IUPAC—
SMILESCC(C)n1cnc2c(-c3ccc(F)c([Al])c3)cnnc21
InChIInChI=1S/C14H12FN4.Al/c1-9(2)19-8-16-13-12(7-17-18-14(13)19)10-3-5-11(15)6-4-10;/h3-5,7-9H,1-2H3;
InChIKeyLOYLEOIMYCKXQJ-UHFFFAOYSA-N
MW282.26 g/mol
LogP2.01
Rot. Bonds2

About CID 147231578

CID 147231578 (PubChem CID 147231578) has the molecular formula C14H12AlFN4 and a molecular weight of 282.26 g/mol.

Molecular Properties

Compound NameCID 147231578
PubChem CID147231578
Molecular FormulaC14H12AlFN4
Molecular Weight282.26 g/mol
Exact Mass282.09
IUPAC Name—
SMILESCC(C)n1cnc2c(-c3ccc(F)c([Al])c3)cnnc21
InChIInChI=1S/C14H12FN4.Al/c1-9(2)19-8-16-13-12(7-17-18-14(13)19)10-3-5-11(15)6-4-10;/h3-5,7-9H,1-2H3;
InChIKeyLOYLEOIMYCKXQJ-UHFFFAOYSA-N
XLogP2.01
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-bromo-4-fluorophenyl)-7-propan-2-ylimidazo[4,5-c]pyridazine
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4-[5-(7-ethylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]-N-methylbenzenesulfonamide
CID 90218309
4-[3-(4-ethylsulfonylphenyl)-4-fluorophenyl]-7-propylimidazo[4,5-c]pyridazine
CID 90224612
7-ethyl-4-[4-fluoro-3-[2-methoxy-4-[(1S)-1-methylsulfonylethyl]phenyl]phenyl]imidazo[4,5-c]pyridazine
CID 175946639
7-ethyl-4-[3-(4-ethyl-2-methoxyphenyl)-4-fluorophenyl]imidazo[4,5-c]pyridazine
CID 175962275
4-[5-(7-cyclopropylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]-N-methylbenzenesulfonamide
CID 91801272
3-[5-(7-ethylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]-N-methylbenzamide
CID 130200333
7-ethyl-4-[4-fluoro-3-(6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-7-yl)phenyl]imidazo[4,5-c]pyridazine
CID 169156282
4-[5-(7-ethylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]-3-methoxybenzonitrile
CID 155557616
7-ethyl-4-[4-fluoro-3-(7-methoxy-1-methylindazol-6-yl)phenyl]imidazo[4,5-c]pyridazine
CID 170334739
3-[5-(7-ethylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]-2-methoxy-1,8-naphthyridine
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Frequently Asked Questions

What is the IUPAC name of CID 147231578?
The IUPAC name of CID 147231578 (CID 147231578) is not available.
What is the SMILES notation for CID 147231578?
The canonical SMILES for CID 147231578 is CC(C)n1cnc2c(-c3ccc(F)c([Al])c3)cnnc21.
What is the InChIKey of CID 147231578?
The InChIKey is LOYLEOIMYCKXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN4.Al/c1-9(2)19-8-16-13-12(7-17-18-14(13)19)10-3-5-11(15)6-4-10;/h3-5,7-9H,1-2H3;.
What are the key properties of CID 147231578?
CID 147231578 has a molecular weight of 282.26 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 147231578 is sourced from PubChem (CID 147231578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).