(2R,4R)-2'-amino-6-(5-chloro-3-pyridinyl)-2,3'-dimethyl-2-[(4-pyrimidin-5-ylphenyl)methyl]spiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one

C30H27ClN6O — CID 66683935

IUPAC(2R,4R)-2'-amino-6-(5-chloro-3-pyridinyl)-2,3'-dimethyl-2-[(4-pyrimidin-5-ylphenyl)methyl]spiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one
SMILESCN1C(=O)[C@]2(C[C@](C)(Cc3ccc(-c4cncnc4)cc3)Cc3ccc(-c4cncc(Cl)c4)cc32)N=C1N
InChIInChI=1S/C30H27ClN6O/c1-29(11-19-3-5-20(6-4-19)24-14-34-18-35-15-24)12-22-8-7-21(23-9-25(31)16-33-13-23)10-26(22)30(17-29)27(38)37(2)28(32)36-30/h3-10,13-16,18H,11-12,17H2,1-2H3,(H2,32,36)/t29-,30-/m1/s1
InChIKeyLWBAFCKWZKELQK-LOYHVIPDSA-N
MW523.04 g/mol
LogP5.04
Rot. Bonds4

About (2R,4R)-2'-amino-6-(5-chloro-3-pyridinyl)-2,3'-dimethyl-2-[(4-pyrimidin-5-ylphenyl)methyl]spiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one

(2R,4R)-2'-amino-6-(5-chloro-3-pyridinyl)-2,3'-dimethyl-2-[(4-pyrimidin-5-ylphenyl)methyl]spiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one (PubChem CID 66683935) has the molecular formula C30H27ClN6O and a molecular weight of 523.04 g/mol. Its IUPAC name is (2R,4R)-2'-amino-6-(5-chloro-3-pyridinyl)-2,3'-dimethyl-2-[(4-pyrimidin-5-ylphenyl)methyl]spiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one.

Molecular Properties

Compound Name(2R,4R)-2'-amino-6-(5-chloro-3-pyridinyl)-2,3'-dimethyl-2-[(4-pyrimidin-5-ylphenyl)methyl]spiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one
PubChem CID66683935
Molecular FormulaC30H27ClN6O
Molecular Weight523.04 g/mol
Exact Mass522.19
IUPAC Name(2R,4R)-2'-amino-6-(5-chloro-3-pyridinyl)-2,3'-dimethyl-2-[(4-pyrimidin-5-ylphenyl)methyl]spiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one
SMILESCN1C(=O)[C@]2(C[C@](C)(Cc3ccc(-c4cncnc4)cc3)Cc3ccc(-c4cncc(Cl)c4)cc32)N=C1N
InChIInChI=1S/C30H27ClN6O/c1-29(11-19-3-5-20(6-4-19)24-14-34-18-35-15-24)12-22-8-7-21(23-9-25(31)16-33-13-23)10-26(22)30(17-29)27(38)37(2)28(32)36-30/h3-10,13-16,18H,11-12,17H2,1-2H3,(H2,32,36)/t29-,30-/m1/s1
InChIKeyLWBAFCKWZKELQK-LOYHVIPDSA-N
XLogP5.04
TPSA97.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.04
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R,4R)-2'-amino-6-(5-chloro-3-pyridinyl)-2,3'-dimethyl-2-[(4-pyrimidin-5-ylphenyl)methyl]spiro[1,3-dihydronaphthalene-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

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2'-amino-6-(5-chloro-3-pyridinyl)-2,3'-dimethyl-2-[(4-pyrimidin-5-ylphenyl)methyl]spiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one?
The IUPAC name of (2R,4R)-2'-amino-6-(5-chloro-3-pyridinyl)-2,3'-dimethyl-2-[(4-pyrimidin-5-ylphenyl)methyl]spiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one (CID 66683935) is (2R,4R)-2'-amino-6-(5-chloro-3-pyridinyl)-2,3'-dimethyl-2-[(4-pyrimidin-5-ylphenyl)methyl]spiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one.
What is the SMILES notation for (2R,4R)-2'-amino-6-(5-chloro-3-pyridinyl)-2,3'-dimethyl-2-[(4-pyrimidin-5-ylphenyl)methyl]spiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one?
The canonical SMILES for (2R,4R)-2'-amino-6-(5-chloro-3-pyridinyl)-2,3'-dimethyl-2-[(4-pyrimidin-5-ylphenyl)methyl]spiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one is CN1C(=O)[C@]2(C[C@](C)(Cc3ccc(-c4cncnc4)cc3)Cc3ccc(-c4cncc(Cl)c4)cc32)N=C1N.
What is the InChIKey of (2R,4R)-2'-amino-6-(5-chloro-3-pyridinyl)-2,3'-dimethyl-2-[(4-pyrimidin-5-ylphenyl)methyl]spiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one?
The InChIKey is LWBAFCKWZKELQK-LOYHVIPDSA-N. The full InChI is InChI=1S/C30H27ClN6O/c1-29(11-19-3-5-20(6-4-19)24-14-34-18-35-15-24)12-22-8-7-21(23-9-25(31)16-33-13-23)10-26(22)30(17-29)27(38)37(2)28(32)36-30/h3-10,13-16,18H,11-12,17H2,1-2H3,(H2,32,36)/t29-,30-/m1/s1.
What are the key properties of (2R,4R)-2'-amino-6-(5-chloro-3-pyridinyl)-2,3'-dimethyl-2-[(4-pyrimidin-5-ylphenyl)methyl]spiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one?
(2R,4R)-2'-amino-6-(5-chloro-3-pyridinyl)-2,3'-dimethyl-2-[(4-pyrimidin-5-ylphenyl)methyl]spiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one has a molecular weight of 523.04 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2'-amino-6-(5-chloro-3-pyridinyl)-2,3'-dimethyl-2-[(4-pyrimidin-5-ylphenyl)methyl]spiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one is sourced from PubChem (CID 66683935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).