(2S,4S)-2'-amino-6-(5-chloro-3-pyridinyl)-2,3'-dimethyl-2-(pyrimidin-2-ylmethyl)spiro[3H-chromene-4,5'-imidazole]-4'-one

C23H21ClN6O2 — CID 123345030

IUPAC(2S,4S)-2'-amino-6-(5-chloro-3-pyridinyl)-2,3'-dimethyl-2-(pyrimidin-2-ylmethyl)spiro[3H-chromene-4,5'-imidazole]-4'-one
SMILESCN1C(=O)[C@@]2(C[C@@](C)(Cc3ncccn3)Oc3ccc(-c4cncc(Cl)c4)cc32)N=C1N
InChIInChI=1S/C23H21ClN6O2/c1-22(10-19-27-6-3-7-28-19)13-23(20(31)30(2)21(25)29-23)17-9-14(4-5-18(17)32-22)15-8-16(24)12-26-11-15/h3-9,11-12H,10,13H2,1-2H3,(H2,25,29)/t22-,23+/m1/s1
InChIKeyZILBOJBHQLQBQW-PKTZIBPZSA-N
MW448.91 g/mol
LogP2.96
Rot. Bonds3

About (2S,4S)-2'-amino-6-(5-chloro-3-pyridinyl)-2,3'-dimethyl-2-(pyrimidin-2-ylmethyl)spiro[3H-chromene-4,5'-imidazole]-4'-one

(2S,4S)-2'-amino-6-(5-chloro-3-pyridinyl)-2,3'-dimethyl-2-(pyrimidin-2-ylmethyl)spiro[3H-chromene-4,5'-imidazole]-4'-one (PubChem CID 123345030) has the molecular formula C23H21ClN6O2 and a molecular weight of 448.91 g/mol. Its IUPAC name is (2S,4S)-2'-amino-6-(5-chloro-3-pyridinyl)-2,3'-dimethyl-2-(pyrimidin-2-ylmethyl)spiro[3H-chromene-4,5'-imidazole]-4'-one.

Molecular Properties

Compound Name(2S,4S)-2'-amino-6-(5-chloro-3-pyridinyl)-2,3'-dimethyl-2-(pyrimidin-2-ylmethyl)spiro[3H-chromene-4,5'-imidazole]-4'-one
PubChem CID123345030
Molecular FormulaC23H21ClN6O2
Molecular Weight448.91 g/mol
Exact Mass448.14
IUPAC Name(2S,4S)-2'-amino-6-(5-chloro-3-pyridinyl)-2,3'-dimethyl-2-(pyrimidin-2-ylmethyl)spiro[3H-chromene-4,5'-imidazole]-4'-one
SMILESCN1C(=O)[C@@]2(C[C@@](C)(Cc3ncccn3)Oc3ccc(-c4cncc(Cl)c4)cc32)N=C1N
InChIInChI=1S/C23H21ClN6O2/c1-22(10-19-27-6-3-7-28-19)13-23(20(31)30(2)21(25)29-23)17-9-14(4-5-18(17)32-22)15-8-16(24)12-26-11-15/h3-9,11-12H,10,13H2,1-2H3,(H2,25,29)/t22-,23+/m1/s1
InChIKeyZILBOJBHQLQBQW-PKTZIBPZSA-N
XLogP2.96
TPSA106.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.91
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2S,4S)-2'-amino-6-(5-chloro-3-pyridinyl)-2,3'-dimethyl-2-(pyrimidin-2-ylmethyl)spiro[3H-chromene-4,5'-imidazole]-4'-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Amino-3-methyl-2',7'-dipyridin-3-ylspiro[imidazole-5,9'-xanthene]-4-one
CID 53465113
(4aS,10R,10aS)-2'-amino-8-(5-chloro-3-pyridinyl)-3'-methylspiro[3,4,4a,10a-tetrahydro-1H-pyrano[4,3-b]chromene-10,5'-imidazole]-4'-one
CID 56947557
2-Amino-4'-fluoro-7'-(2-fluoro-3-pyridinyl)-2'-(2-fluoro-4-pyridinyl)-3-methylspiro[imidazole-5,9'-xanthene]-4-one
CID 90656183
(4aS,10R,10aS)-2'-amino-3'-methyl-8-pyrimidin-5-ylspiro[3,4,4a,10a-tetrahydro-1H-pyrano[4,3-b]chromene-10,5'-imidazole]-4'-one
CID 56947701
(4R)-2'-amino-6-(5-chloro-3-pyridinyl)-2,2,3'-trimethylspiro[3H-chromene-4,5'-imidazole]-4'-one
CID 67236442
2'-amino-2,2,3'-trimethyl-6-pyrimidin-5-ylspiro[3H-chromene-4,5'-imidazole]-4'-one
CID 68321854
2'-amino-2,2,3'-trimethyl-6-pyridin-3-ylspiro[3H-chromene-4,5'-imidazole]-4'-one
CID 68321915
2'-amino-6-(2-fluoro-3-pyridinyl)-2,2,3'-trimethylspiro[3H-chromene-4,5'-imidazole]-4'-one
CID 68321924
2'-amino-2,2,3'-trimethyl-6-(5-prop-1-ynyl-3-pyridinyl)spiro[3H-chromene-4,5'-imidazole]-4'-one
CID 68321947
2'-amino-6-(5-fluoro-3-pyridinyl)-2,2,3'-trimethylspiro[3H-chromene-4,5'-imidazole]-4'-one
CID 68322184
(5S)-2-amino-2'-(3,6-dihydro-2H-pyran-4-yl)-7'-(2-fluoro-3-pyridinyl)-3-methylspiro[imidazole-5,9'-xanthene]-4-one
CID 91819652
(5S)-2-amino-4'-fluoro-7'-(2-fluoro-3-pyridinyl)-2'-(2-fluoro-4-pyridinyl)-3-methylspiro[imidazole-5,9'-xanthene]-4-one
CID 91819657

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2'-amino-6-(5-chloro-3-pyridinyl)-2,3'-dimethyl-2-(pyrimidin-2-ylmethyl)spiro[3H-chromene-4,5'-imidazole]-4'-one?
The IUPAC name of (2S,4S)-2'-amino-6-(5-chloro-3-pyridinyl)-2,3'-dimethyl-2-(pyrimidin-2-ylmethyl)spiro[3H-chromene-4,5'-imidazole]-4'-one (CID 123345030) is (2S,4S)-2'-amino-6-(5-chloro-3-pyridinyl)-2,3'-dimethyl-2-(pyrimidin-2-ylmethyl)spiro[3H-chromene-4,5'-imidazole]-4'-one.
What is the SMILES notation for (2S,4S)-2'-amino-6-(5-chloro-3-pyridinyl)-2,3'-dimethyl-2-(pyrimidin-2-ylmethyl)spiro[3H-chromene-4,5'-imidazole]-4'-one?
The canonical SMILES for (2S,4S)-2'-amino-6-(5-chloro-3-pyridinyl)-2,3'-dimethyl-2-(pyrimidin-2-ylmethyl)spiro[3H-chromene-4,5'-imidazole]-4'-one is CN1C(=O)[C@@]2(C[C@@](C)(Cc3ncccn3)Oc3ccc(-c4cncc(Cl)c4)cc32)N=C1N.
What is the InChIKey of (2S,4S)-2'-amino-6-(5-chloro-3-pyridinyl)-2,3'-dimethyl-2-(pyrimidin-2-ylmethyl)spiro[3H-chromene-4,5'-imidazole]-4'-one?
The InChIKey is ZILBOJBHQLQBQW-PKTZIBPZSA-N. The full InChI is InChI=1S/C23H21ClN6O2/c1-22(10-19-27-6-3-7-28-19)13-23(20(31)30(2)21(25)29-23)17-9-14(4-5-18(17)32-22)15-8-16(24)12-26-11-15/h3-9,11-12H,10,13H2,1-2H3,(H2,25,29)/t22-,23+/m1/s1.
What are the key properties of (2S,4S)-2'-amino-6-(5-chloro-3-pyridinyl)-2,3'-dimethyl-2-(pyrimidin-2-ylmethyl)spiro[3H-chromene-4,5'-imidazole]-4'-one?
(2S,4S)-2'-amino-6-(5-chloro-3-pyridinyl)-2,3'-dimethyl-2-(pyrimidin-2-ylmethyl)spiro[3H-chromene-4,5'-imidazole]-4'-one has a molecular weight of 448.91 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2'-amino-6-(5-chloro-3-pyridinyl)-2,3'-dimethyl-2-(pyrimidin-2-ylmethyl)spiro[3H-chromene-4,5'-imidazole]-4'-one is sourced from PubChem (CID 123345030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).