N-[(4-fluorophenyl)methyl]spiro[cyclohexane-1,2'-imidazo[4,5-c]pyridine]-4'-amine

C18H19FN4 — CID 15195701

IUPACN-[(4-fluorophenyl)methyl]spiro[cyclohexane-1,2'-imidazo[4,5-c]pyridine]-4'-amine
SMILESFc1ccc(CNc2nccc3c2=NC2(CCCCC2)N=3)cc1
InChIInChI=1S/C18H19FN4/c19-14-6-4-13(5-7-14)12-21-17-16-15(8-11-20-17)22-18(23-16)9-2-1-3-10-18/h4-8,11H,1-3,9-10,12H2,(H,20,21)
InChIKeyZEZMCTZDFMYUQD-UHFFFAOYSA-N
MW310.38 g/mol
LogP2.75
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]spiro[cyclohexane-1,2'-imidazo[4,5-c]pyridine]-4'-amine

N-[(4-fluorophenyl)methyl]spiro[cyclohexane-1,2'-imidazo[4,5-c]pyridine]-4'-amine (PubChem CID 15195701) has the molecular formula C18H19FN4 and a molecular weight of 310.38 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]spiro[cyclohexane-1,2'-imidazo[4,5-c]pyridine]-4'-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]spiro[cyclohexane-1,2'-imidazo[4,5-c]pyridine]-4'-amine
PubChem CID15195701
Molecular FormulaC18H19FN4
Molecular Weight310.38 g/mol
Exact Mass310.16
IUPAC NameN-[(4-fluorophenyl)methyl]spiro[cyclohexane-1,2'-imidazo[4,5-c]pyridine]-4'-amine
SMILESFc1ccc(CNc2nccc3c2=NC2(CCCCC2)N=3)cc1
InChIInChI=1S/C18H19FN4/c19-14-6-4-13(5-7-14)12-21-17-16-15(8-11-20-17)22-18(23-16)9-2-1-3-10-18/h4-8,11H,1-3,9-10,12H2,(H,20,21)
InChIKeyZEZMCTZDFMYUQD-UHFFFAOYSA-N
XLogP2.75
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]spiro[cyclohexane-1,2'-imidazo[4,5-c]pyridine]-4'-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]spiro[cyclohexane-1,2'-imidazo[4,5-c]pyridine]-4'-amine (CID 15195701) is N-[(4-fluorophenyl)methyl]spiro[cyclohexane-1,2'-imidazo[4,5-c]pyridine]-4'-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]spiro[cyclohexane-1,2'-imidazo[4,5-c]pyridine]-4'-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]spiro[cyclohexane-1,2'-imidazo[4,5-c]pyridine]-4'-amine is Fc1ccc(CNc2nccc3c2=NC2(CCCCC2)N=3)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]spiro[cyclohexane-1,2'-imidazo[4,5-c]pyridine]-4'-amine?
The InChIKey is ZEZMCTZDFMYUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4/c19-14-6-4-13(5-7-14)12-21-17-16-15(8-11-20-17)22-18(23-16)9-2-1-3-10-18/h4-8,11H,1-3,9-10,12H2,(H,20,21).
What are the key properties of N-[(4-fluorophenyl)methyl]spiro[cyclohexane-1,2'-imidazo[4,5-c]pyridine]-4'-amine?
N-[(4-fluorophenyl)methyl]spiro[cyclohexane-1,2'-imidazo[4,5-c]pyridine]-4'-amine has a molecular weight of 310.38 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]spiro[cyclohexane-1,2'-imidazo[4,5-c]pyridine]-4'-amine is sourced from PubChem (CID 15195701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).