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

C23H23ClF2N4 — CID 86692168

IUPAC—
SMILESCC1CC2(CCC1C(F)F)Cc1ccc(-c3cncc(Cl)c3)cc1C21N=CC(N)=N1
InChIInChI=1S/C23H23ClF2N4/c1-13-8-22(5-4-18(13)21(25)26)9-15-3-2-14(16-6-17(24)11-28-10-16)7-19(15)23(22)29-12-20(27)30-23/h2-3,6-7,10-13,18,21H,4-5,8-9H2,1H3,(H2,27,30)
InChIKeyHSUFTHRSABIZSR-UHFFFAOYSA-N
MW428.91 g/mol
LogP5.24
Rot. Bonds2

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

6'-(5-Chloropyridin-3-yl)-4-(difluoromethyl)-5-methyl-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-imidazol]-4''-amine (PubChem CID 86692168) has the molecular formula C23H23ClF2N4 and a molecular weight of 428.91 g/mol.

Molecular Properties

Compound Name6'-(5-Chloropyridin-3-yl)-4-(difluoromethyl)-5-methyl-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-imidazol]-4''-amine
PubChem CID86692168
Molecular FormulaC23H23ClF2N4
Molecular Weight428.91 g/mol
Exact Mass428.16
IUPAC Name—
SMILESCC1CC2(CCC1C(F)F)Cc1ccc(-c3cncc(Cl)c3)cc1C21N=CC(N)=N1
InChIInChI=1S/C23H23ClF2N4/c1-13-8-22(5-4-18(13)21(25)26)9-15-3-2-14(16-6-17(24)11-28-10-16)7-19(15)23(22)29-12-20(27)30-23/h2-3,6-7,10-13,18,21H,4-5,8-9H2,1H3,(H2,27,30)
InChIKeyHSUFTHRSABIZSR-UHFFFAOYSA-N
XLogP5.24
TPSA63.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.91
LogP ≤ 55.24
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-(difluoromethyl)-5-methyl-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-imidazol]-4''-amine?
The IUPAC name of 6'-(5-Chloropyridin-3-yl)-4-(difluoromethyl)-5-methyl-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-imidazol]-4''-amine (CID 86692168) is not available.
What is the SMILES notation for 6'-(5-Chloropyridin-3-yl)-4-(difluoromethyl)-5-methyl-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-imidazol]-4''-amine?
The canonical SMILES for 6'-(5-Chloropyridin-3-yl)-4-(difluoromethyl)-5-methyl-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-imidazol]-4''-amine is CC1CC2(CCC1C(F)F)Cc1ccc(-c3cncc(Cl)c3)cc1C21N=CC(N)=N1.
What is the InChIKey of 6'-(5-Chloropyridin-3-yl)-4-(difluoromethyl)-5-methyl-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-imidazol]-4''-amine?
The InChIKey is HSUFTHRSABIZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClF2N4/c1-13-8-22(5-4-18(13)21(25)26)9-15-3-2-14(16-6-17(24)11-28-10-16)7-19(15)23(22)29-12-20(27)30-23/h2-3,6-7,10-13,18,21H,4-5,8-9H2,1H3,(H2,27,30).
What are the key properties of 6'-(5-Chloropyridin-3-yl)-4-(difluoromethyl)-5-methyl-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-imidazol]-4''-amine?
6'-(5-Chloropyridin-3-yl)-4-(difluoromethyl)-5-methyl-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-imidazol]-4''-amine has a molecular weight of 428.91 g/mol, XLogP of 5.24, 2 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-(difluoromethyl)-5-methyl-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-imidazol]-4''-amine is sourced from PubChem (CID 86692168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).