2'-amino-6-(5-chloro-3-pyridinyl)-2,2,3'-trimethylspiro[3H-chromene-4,5'-imidazole]-4'-one

C19H19ClN4O2 — CID 71624470

IUPAC2'-amino-6-(5-chloro-3-pyridinyl)-2,2,3'-trimethylspiro[3H-chromene-4,5'-imidazole]-4'-one
SMILESCN1C(=O)C2(CC(C)(C)Oc3ccc(-c4cncc(Cl)c4)cc32)N=C1N
InChIInChI=1S/C19H19ClN4O2/c1-18(2)10-19(16(25)24(3)17(21)23-19)14-7-11(4-5-15(14)26-18)12-6-13(20)9-22-8-12/h4-9H,10H2,1-3H3,(H2,21,23)
InChIKeyPKQGPMLILUJFKM-UHFFFAOYSA-N
MW370.84 g/mol
LogP2.95
Rot. Bonds1

About 2'-amino-6-(5-chloro-3-pyridinyl)-2,2,3'-trimethylspiro[3H-chromene-4,5'-imidazole]-4'-one

2'-amino-6-(5-chloro-3-pyridinyl)-2,2,3'-trimethylspiro[3H-chromene-4,5'-imidazole]-4'-one (PubChem CID 71624470) has the molecular formula C19H19ClN4O2 and a molecular weight of 370.84 g/mol. Its IUPAC name is 2'-amino-6-(5-chloro-3-pyridinyl)-2,2,3'-trimethylspiro[3H-chromene-4,5'-imidazole]-4'-one.

Molecular Properties

Compound Name2'-amino-6-(5-chloro-3-pyridinyl)-2,2,3'-trimethylspiro[3H-chromene-4,5'-imidazole]-4'-one
PubChem CID71624470
Molecular FormulaC19H19ClN4O2
Molecular Weight370.84 g/mol
Exact Mass370.12
IUPAC Name2'-amino-6-(5-chloro-3-pyridinyl)-2,2,3'-trimethylspiro[3H-chromene-4,5'-imidazole]-4'-one
SMILESCN1C(=O)C2(CC(C)(C)Oc3ccc(-c4cncc(Cl)c4)cc32)N=C1N
InChIInChI=1S/C19H19ClN4O2/c1-18(2)10-19(16(25)24(3)17(21)23-19)14-7-11(4-5-15(14)26-18)12-6-13(20)9-22-8-12/h4-9H,10H2,1-3H3,(H2,21,23)
InChIKeyPKQGPMLILUJFKM-UHFFFAOYSA-N
XLogP2.95
TPSA80.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2'-amino-6-(5-chloro-3-pyridinyl)-2,2,3'-trimethylspiro[3H-chromene-4,5'-imidazole]-4'-one?
The IUPAC name of 2'-amino-6-(5-chloro-3-pyridinyl)-2,2,3'-trimethylspiro[3H-chromene-4,5'-imidazole]-4'-one (CID 71624470) is 2'-amino-6-(5-chloro-3-pyridinyl)-2,2,3'-trimethylspiro[3H-chromene-4,5'-imidazole]-4'-one.
What is the SMILES notation for 2'-amino-6-(5-chloro-3-pyridinyl)-2,2,3'-trimethylspiro[3H-chromene-4,5'-imidazole]-4'-one?
The canonical SMILES for 2'-amino-6-(5-chloro-3-pyridinyl)-2,2,3'-trimethylspiro[3H-chromene-4,5'-imidazole]-4'-one is CN1C(=O)C2(CC(C)(C)Oc3ccc(-c4cncc(Cl)c4)cc32)N=C1N.
What is the InChIKey of 2'-amino-6-(5-chloro-3-pyridinyl)-2,2,3'-trimethylspiro[3H-chromene-4,5'-imidazole]-4'-one?
The InChIKey is PKQGPMLILUJFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2/c1-18(2)10-19(16(25)24(3)17(21)23-19)14-7-11(4-5-15(14)26-18)12-6-13(20)9-22-8-12/h4-9H,10H2,1-3H3,(H2,21,23).
What are the key properties of 2'-amino-6-(5-chloro-3-pyridinyl)-2,2,3'-trimethylspiro[3H-chromene-4,5'-imidazole]-4'-one?
2'-amino-6-(5-chloro-3-pyridinyl)-2,2,3'-trimethylspiro[3H-chromene-4,5'-imidazole]-4'-one has a molecular weight of 370.84 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-amino-6-(5-chloro-3-pyridinyl)-2,2,3'-trimethylspiro[3H-chromene-4,5'-imidazole]-4'-one is sourced from PubChem (CID 71624470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).