2'-amino-6-cyclohexyl-2,3'-dimethyl-2-(pyridin-2-ylmethyl)spiro[3H-chromene-4,5'-imidazole]-4'-one

C25H30N4O2 — CID 75989536

IUPAC2'-amino-6-cyclohexyl-2,3'-dimethyl-2-(pyridin-2-ylmethyl)spiro[3H-chromene-4,5'-imidazole]-4'-one
SMILESCN1C(=O)C2(CC(C)(Cc3ccccn3)Oc3ccc(C4CCCCC4)cc32)N=C1N
InChIInChI=1S/C25H30N4O2/c1-24(15-19-10-6-7-13-27-19)16-25(22(30)29(2)23(26)28-25)20-14-18(11-12-21(20)31-24)17-8-4-3-5-9-17/h6-7,10-14,17H,3-5,8-9,15-16H2,1-2H3,(H2,26,28)
InChIKeyVMPWSSMBXZYKLI-UHFFFAOYSA-N
MW418.54 g/mol
LogP3.90
Rot. Bonds3

About 2'-amino-6-cyclohexyl-2,3'-dimethyl-2-(pyridin-2-ylmethyl)spiro[3H-chromene-4,5'-imidazole]-4'-one

2'-amino-6-cyclohexyl-2,3'-dimethyl-2-(pyridin-2-ylmethyl)spiro[3H-chromene-4,5'-imidazole]-4'-one (PubChem CID 75989536) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is 2'-amino-6-cyclohexyl-2,3'-dimethyl-2-(pyridin-2-ylmethyl)spiro[3H-chromene-4,5'-imidazole]-4'-one.

Molecular Properties

Compound Name2'-amino-6-cyclohexyl-2,3'-dimethyl-2-(pyridin-2-ylmethyl)spiro[3H-chromene-4,5'-imidazole]-4'-one
PubChem CID75989536
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC Name2'-amino-6-cyclohexyl-2,3'-dimethyl-2-(pyridin-2-ylmethyl)spiro[3H-chromene-4,5'-imidazole]-4'-one
SMILESCN1C(=O)C2(CC(C)(Cc3ccccn3)Oc3ccc(C4CCCCC4)cc32)N=C1N
InChIInChI=1S/C25H30N4O2/c1-24(15-19-10-6-7-13-27-19)16-25(22(30)29(2)23(26)28-25)20-14-18(11-12-21(20)31-24)17-8-4-3-5-9-17/h6-7,10-14,17H,3-5,8-9,15-16H2,1-2H3,(H2,26,28)
InChIKeyVMPWSSMBXZYKLI-UHFFFAOYSA-N
XLogP3.90
TPSA80.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2'-amino-6-cyclohexyl-2,3'-dimethyl-2-(pyridin-2-ylmethyl)spiro[3H-chromene-4,5'-imidazole]-4'-one with MolForge

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Related Compounds

(2S,4S)-2'-amino-6-(5-chloro-3-pyridinyl)-2-[(5-fluoro-2-pyridinyl)methyl]-2,3'-dimethylspiro[3H-chromene-4,5'-imidazole]-4'-one
CID 123793261
(2R)-2'-amino-2-(cyclopropylmethyl)-6-(2-fluoro-3-pyridinyl)-2,3'-dimethylspiro[3H-pyrano[2,3-c]pyridine-4,5'-imidazole]-4'-one
CID 53247645
(2R)-2'-amino-6-(3-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-2,3'-dimethylspiro[3H-chromene-4,5'-imidazole]-4'-one
CID 53246312
CID 58424261
CID 58424261
2'-amino-6-bromo-2-[(4-methoxyphenyl)methyl]-2,3'-dimethylspiro[3H-pyrano[2,3-c]pyridine-4,5'-imidazole]-4'-one
CID 87319579
2'-amino-6-(5-chloro-3-pyridinyl)-2-[(3-fluorophenyl)methyl]-2,3'-dimethylspiro[3H-chromene-4,5'-imidazole]-4'-one
CID 75989401
CID 58424324
CID 58424324
CID 91576347
CID 91576347
CID 58424063
CID 58424063
2'-amino-6-(3-chloro-5-fluorophenyl)-2-[(4-fluorophenyl)methyl]-2,3'-dimethylspiro[3H-pyrano[2,3-c]pyridine-4,5'-imidazole]-4'-one
CID 75989680
2'-amino-6-(5-chloro-3-pyridinyl)-2-[[3-(difluoromethoxy)phenyl]methyl]-2,3'-dimethylspiro[3H-chromene-4,5'-imidazole]-4'-one
CID 75989538
(4R)-2'-amino-6-(5-chloro-3-pyridinyl)-2,2,3'-trimethylspiro[3H-chromene-4,5'-imidazole]-4'-one
CID 67236442

Frequently Asked Questions

What is the IUPAC name of 2'-amino-6-cyclohexyl-2,3'-dimethyl-2-(pyridin-2-ylmethyl)spiro[3H-chromene-4,5'-imidazole]-4'-one?
The IUPAC name of 2'-amino-6-cyclohexyl-2,3'-dimethyl-2-(pyridin-2-ylmethyl)spiro[3H-chromene-4,5'-imidazole]-4'-one (CID 75989536) is 2'-amino-6-cyclohexyl-2,3'-dimethyl-2-(pyridin-2-ylmethyl)spiro[3H-chromene-4,5'-imidazole]-4'-one.
What is the SMILES notation for 2'-amino-6-cyclohexyl-2,3'-dimethyl-2-(pyridin-2-ylmethyl)spiro[3H-chromene-4,5'-imidazole]-4'-one?
The canonical SMILES for 2'-amino-6-cyclohexyl-2,3'-dimethyl-2-(pyridin-2-ylmethyl)spiro[3H-chromene-4,5'-imidazole]-4'-one is CN1C(=O)C2(CC(C)(Cc3ccccn3)Oc3ccc(C4CCCCC4)cc32)N=C1N.
What is the InChIKey of 2'-amino-6-cyclohexyl-2,3'-dimethyl-2-(pyridin-2-ylmethyl)spiro[3H-chromene-4,5'-imidazole]-4'-one?
The InChIKey is VMPWSSMBXZYKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-24(15-19-10-6-7-13-27-19)16-25(22(30)29(2)23(26)28-25)20-14-18(11-12-21(20)31-24)17-8-4-3-5-9-17/h6-7,10-14,17H,3-5,8-9,15-16H2,1-2H3,(H2,26,28).
What are the key properties of 2'-amino-6-cyclohexyl-2,3'-dimethyl-2-(pyridin-2-ylmethyl)spiro[3H-chromene-4,5'-imidazole]-4'-one?
2'-amino-6-cyclohexyl-2,3'-dimethyl-2-(pyridin-2-ylmethyl)spiro[3H-chromene-4,5'-imidazole]-4'-one has a molecular weight of 418.54 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-amino-6-cyclohexyl-2,3'-dimethyl-2-(pyridin-2-ylmethyl)spiro[3H-chromene-4,5'-imidazole]-4'-one is sourced from PubChem (CID 75989536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).