N-(4''-Amino-4,4-difluoro-5''-methyl-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-imidazol]-6'-yl)-5-chloropyridine-2-carboxamide

C23H22ClF2N5O — CID 67979524

IUPAC—
SMILESCC1=NC2(N=C1N)c1cc(NC(=O)c3ccc(Cl)cn3)ccc1CC21CCC(F)(F)CC1
InChIInChI=1S/C23H22ClF2N5O/c1-13-19(27)31-23(30-13)17-10-16(29-20(32)18-5-3-15(24)12-28-18)4-2-14(17)11-21(23)6-8-22(25,26)9-7-21/h2-5,10,12H,6-9,11H2,1H3,(H2,27,31)(H,29,32)
InChIKeyHODYOYXOWRKLLU-UHFFFAOYSA-N
MW457.91 g/mol
LogP4.72
Rot. Bonds2

About N-(4''-Amino-4,4-difluoro-5''-methyl-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-imidazol]-6'-yl)-5-chloropyridine-2-carboxamide

N-(4''-Amino-4,4-difluoro-5''-methyl-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-imidazol]-6'-yl)-5-chloropyridine-2-carboxamide (PubChem CID 67979524) has the molecular formula C23H22ClF2N5O and a molecular weight of 457.91 g/mol.

Molecular Properties

Compound NameN-(4''-Amino-4,4-difluoro-5''-methyl-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-imidazol]-6'-yl)-5-chloropyridine-2-carboxamide
PubChem CID67979524
Molecular FormulaC23H22ClF2N5O
Molecular Weight457.91 g/mol
Exact Mass457.15
IUPAC Name—
SMILESCC1=NC2(N=C1N)c1cc(NC(=O)c3ccc(Cl)cn3)ccc1CC21CCC(F)(F)CC1
InChIInChI=1S/C23H22ClF2N5O/c1-13-19(27)31-23(30-13)17-10-16(29-20(32)18-5-3-15(24)12-28-18)4-2-14(17)11-21(23)6-8-22(25,26)9-7-21/h2-5,10,12H,6-9,11H2,1H3,(H2,27,31)(H,29,32)
InChIKeyHODYOYXOWRKLLU-UHFFFAOYSA-N
XLogP4.72
TPSA92.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.91
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4''-Amino-4,4-difluoro-5''-methyl-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-imidazol]-6'-yl)-5-chloropyridine-2-carboxamide?
The IUPAC name of N-(4''-Amino-4,4-difluoro-5''-methyl-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-imidazol]-6'-yl)-5-chloropyridine-2-carboxamide (CID 67979524) is not available.
What is the SMILES notation for N-(4''-Amino-4,4-difluoro-5''-methyl-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-imidazol]-6'-yl)-5-chloropyridine-2-carboxamide?
The canonical SMILES for N-(4''-Amino-4,4-difluoro-5''-methyl-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-imidazol]-6'-yl)-5-chloropyridine-2-carboxamide is CC1=NC2(N=C1N)c1cc(NC(=O)c3ccc(Cl)cn3)ccc1CC21CCC(F)(F)CC1.
What is the InChIKey of N-(4''-Amino-4,4-difluoro-5''-methyl-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-imidazol]-6'-yl)-5-chloropyridine-2-carboxamide?
The InChIKey is HODYOYXOWRKLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClF2N5O/c1-13-19(27)31-23(30-13)17-10-16(29-20(32)18-5-3-15(24)12-28-18)4-2-14(17)11-21(23)6-8-22(25,26)9-7-21/h2-5,10,12H,6-9,11H2,1H3,(H2,27,31)(H,29,32).
What are the key properties of N-(4''-Amino-4,4-difluoro-5''-methyl-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-imidazol]-6'-yl)-5-chloropyridine-2-carboxamide?
N-(4''-Amino-4,4-difluoro-5''-methyl-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-imidazol]-6'-yl)-5-chloropyridine-2-carboxamide has a molecular weight of 457.91 g/mol, XLogP of 4.72, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4''-Amino-4,4-difluoro-5''-methyl-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-imidazol]-6'-yl)-5-chloropyridine-2-carboxamide is sourced from PubChem (CID 67979524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).