6'-(5-Chloropyridin-3-yl)-4,4-difluoro-5''-methyl-3'H-dispiro[cyclo hexane-1,2'-indene-1',2''-imidazol]-4''-amine

C22H21ClF2N4 — CID 57386149

IUPAC—
SMILESCC1=NC2(N=C1N)c1cc(-c3cncc(Cl)c3)ccc1CC21CCC(F)(F)CC1
InChIInChI=1S/C22H21ClF2N4/c1-13-19(26)29-22(28-13)18-9-14(16-8-17(23)12-27-11-16)2-3-15(18)10-20(22)4-6-21(24,25)7-5-20/h2-3,8-9,11-12H,4-7,10H2,1H3,(H2,26,29)
InChIKeyQYVNHRYCOVFLFE-UHFFFAOYSA-N
MW414.89 g/mol
LogP5.14
Rot. Bonds1

About 6'-(5-Chloropyridin-3-yl)-4,4-difluoro-5''-methyl-3'H-dispiro[cyclo hexane-1,2'-indene-1',2''-imidazol]-4''-amine

6'-(5-Chloropyridin-3-yl)-4,4-difluoro-5''-methyl-3'H-dispiro[cyclo hexane-1,2'-indene-1',2''-imidazol]-4''-amine (PubChem CID 57386149) has the molecular formula C22H21ClF2N4 and a molecular weight of 414.89 g/mol.

Molecular Properties

Compound Name6'-(5-Chloropyridin-3-yl)-4,4-difluoro-5''-methyl-3'H-dispiro[cyclo hexane-1,2'-indene-1',2''-imidazol]-4''-amine
PubChem CID57386149
Molecular FormulaC22H21ClF2N4
Molecular Weight414.89 g/mol
Exact Mass414.14
IUPAC Name—
SMILESCC1=NC2(N=C1N)c1cc(-c3cncc(Cl)c3)ccc1CC21CCC(F)(F)CC1
InChIInChI=1S/C22H21ClF2N4/c1-13-19(26)29-22(28-13)18-9-14(16-8-17(23)12-27-11-16)2-3-15(18)10-20(22)4-6-21(24,25)7-5-20/h2-3,8-9,11-12H,4-7,10H2,1H3,(H2,26,29)
InChIKeyQYVNHRYCOVFLFE-UHFFFAOYSA-N
XLogP5.14
TPSA63.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.89
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6'-(5-Chloropyridin-3-yl)-4,4-difluoro-5''-methyl-3'H-dispiro[cyclo hexane-1,2'-indene-1',2''-imidazol]-4''-amine?
The IUPAC name of 6'-(5-Chloropyridin-3-yl)-4,4-difluoro-5''-methyl-3'H-dispiro[cyclo hexane-1,2'-indene-1',2''-imidazol]-4''-amine (CID 57386149) is not available.
What is the SMILES notation for 6'-(5-Chloropyridin-3-yl)-4,4-difluoro-5''-methyl-3'H-dispiro[cyclo hexane-1,2'-indene-1',2''-imidazol]-4''-amine?
The canonical SMILES for 6'-(5-Chloropyridin-3-yl)-4,4-difluoro-5''-methyl-3'H-dispiro[cyclo hexane-1,2'-indene-1',2''-imidazol]-4''-amine is CC1=NC2(N=C1N)c1cc(-c3cncc(Cl)c3)ccc1CC21CCC(F)(F)CC1.
What is the InChIKey of 6'-(5-Chloropyridin-3-yl)-4,4-difluoro-5''-methyl-3'H-dispiro[cyclo hexane-1,2'-indene-1',2''-imidazol]-4''-amine?
The InChIKey is QYVNHRYCOVFLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClF2N4/c1-13-19(26)29-22(28-13)18-9-14(16-8-17(23)12-27-11-16)2-3-15(18)10-20(22)4-6-21(24,25)7-5-20/h2-3,8-9,11-12H,4-7,10H2,1H3,(H2,26,29).
What are the key properties of 6'-(5-Chloropyridin-3-yl)-4,4-difluoro-5''-methyl-3'H-dispiro[cyclo hexane-1,2'-indene-1',2''-imidazol]-4''-amine?
6'-(5-Chloropyridin-3-yl)-4,4-difluoro-5''-methyl-3'H-dispiro[cyclo hexane-1,2'-indene-1',2''-imidazol]-4''-amine has a molecular weight of 414.89 g/mol, XLogP of 5.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6'-(5-Chloropyridin-3-yl)-4,4-difluoro-5''-methyl-3'H-dispiro[cyclo hexane-1,2'-indene-1',2''-imidazol]-4''-amine is sourced from PubChem (CID 57386149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).